UCSF

ZINC59429421

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 13 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) 0.01 0.79 -40.1 3 3 1 40 185.291 3
Mid Mid (pH 6-8) 0.01 2.85 -106.39 4 3 2 41 186.299 3

Activity (Go SEA)

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