UCSF

ZINC37825138

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -1.47 3.06 -158.85 6 7 3 86 302.443 7
Hi High (pH 8-9.5) -1.47 2.66 -94.65 5 7 2 84 301.435 7

Activity (Go SEA)

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