UCSF

ZINC02595718

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2004 28 No

Popular Name: 6'-amino-3'-(4-chlorophenyl)-1,2',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile 6'-amino-3'-(4-chlorophenyl)-1,2…

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Other Names:

MFCD05738206

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) 2.64 1.79 -12.33 4 7 0 117 389.802 1 ↓
Ref Reference (pH 7) 2.64 2.53 -13.07 4 7 0 117 389.802 1 ↓
Hi High (pH 8-9.5) 2.71 -0.05 -48.33 2 7 -1 119 388.794 1 ↓
Lo Low (pH 4.5-6) 2.64 2.68 -59.74 5 7 1 118 390.81 1 ↓

Activity (Go SEA)

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