UCSF

ZINC37039251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.29 2.41 -105.54 4 5 2 69 301.403 7
Hi High (pH 8-9.5) 0.29 0.52 -49.15 3 5 1 68 300.395 7

Activity (Go SEA)

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