UCSF

ZINC23001969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 19 Yes

Popular Name: 1,2,3,4-tetrahydroquinazoline-2-spiro-3'-1H-indolin-2-one 1,2,3,4-tetrahydroquinazoline-2-…

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CAS Number: 543745-35-3

Other Names:

MFCD11501878

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 2.9 -36.55 4 4 1 58 252.297 0 ↓
Hi High (pH 8-9.5) 1.80 1.59 -7.61 3 4 0 53 251.289 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 171 - 174 KeyOrganics

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.