UCSF

ZINC37008288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.25 3.24 -42.65 3 5 1 66 230.332 6
Hi High (pH 8-9.5) 0.25 0.53 -7.84 2 5 0 61 229.324 6

Activity (Go SEA)

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