UCSF

ZINC52929770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 22 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) 0.53 5.52 -49.79 1 7 1 73 302.358 3
Mid Mid (pH 6-8) 0.53 3.3 -16.33 0 7 0 71 301.35 3

Activity (Go SEA)

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