UCSF

ZINC37030480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.68 2.32 -50.79 4 5 1 90 234.279 5
Hi High (pH 8-9.5) 0.68 1.99 -16.05 3 5 0 88 233.271 5

Activity (Go SEA)

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