UCSF

ZINC34674303

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 21 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) 0.43 8.57 -53.45 1 6 1 75 296.391 8
Hi High (pH 8-9.5) 0.43 6.35 -16.15 0 6 0 74 295.383 8

Activity (Go SEA)

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