UCSF

ZINC52299135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.59 3.02 -7.53 2 5 0 75 243.266 2
Mid Mid (pH 6-8) 2.04 1.23 -44.72 1 5 -1 78 242.258 2

Activity (Go SEA)

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