UCSF

ZINC87532806

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2013 15 Yes

Other Names:

MFCD28126118

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.23 4.32 -43.63 3 2 1 37 216.251 4
Hi High (pH 8-9.5) 2.23 4.13 -4.08 2 2 0 35 215.243 4

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

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