UCSF

ZINC36747251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 0.30 0.69 -42.43 5 5 1 89 230.332 8
Hi High (pH 8-9.5) 0.30 -0.47 -11.66 4 5 0 84 229.324 8

Activity (Go SEA)

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