UCSF

ZINC52132424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 14 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) 1.15 3.85 -34.29 3 3 1 48 213.326 4
Mid Mid (pH 6-8) 1.15 1.62 -8.2 2 3 0 46 212.318 4

Activity (Go SEA)

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