UCSF

ZINC37335327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.81 7.78 -36.59 2 3 1 42 252.309 6
Hi High (pH 8-9.5) 2.81 6.89 -46.65 0 3 -1 43 250.293 6
Hi High (pH 8-9.5) 2.81 5.89 -6.96 1 3 0 41 251.301 6
Mid Mid (pH 6-8) 2.81 8.78 -47.08 1 3 0 45 251.301 6

Activity (Go SEA)

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