UCSF

ZINC20726868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 24 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) 0.68 3.62 -48.18 2 7 1 64 338.428 7
Hi High (pH 8-9.5) 0.68 1.15 -13.57 1 7 0 63 337.42 7
Mid Mid (pH 6-8) 0.68 3.49 -52.38 2 7 1 64 338.428 7

Activity (Go SEA)

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