UCSF

ZINC00701657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

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) 4.35 11.88 -14.53 0 4 0 36 455.574 7
Lo Low (pH 4.5-6) 4.35 14.02 -66.04 1 4 1 38 456.582 7

Activity (Go SEA)

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