UCSF

ZINC70535654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 15 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) 1.58 7.86 -88.35 3 3 2 36 209.337 7
Mid Mid (pH 6-8) 1.58 7.5 -46.84 2 3 1 34 208.329 7

Activity (Go SEA)

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