UCSF

ZINC70503936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.07 8.42 -96.02 4 3 2 45 247.386 6
Hi High (pH 8-9.5) 2.07 7.84 -24.52 3 3 1 43 246.378 6
Mid Mid (pH 6-8) 2.07 7.83 -44.5 3 3 1 44 246.378 6

Activity (Go SEA)

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