UCSF

ZINC37821588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.76 -0.35 -41.93 5 5 1 91 228.316 3
Hi High (pH 8-9.5) -0.76 -0.7 -9.95 4 5 0 89 227.308 3

Activity (Go SEA)

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