UCSF

ZINC37270117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 0.18 1.9 -99.83 6 6 2 90 280.372 7
Hi High (pH 8-9.5) 0.18 -0.36 -57.74 5 6 1 89 279.364 7

Activity (Go SEA)

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