UCSF

ZINC35250190

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 0.35 2.35 -12.65 1 8 0 102 308.356 8
Mid Mid (pH 6-8) 0.35 2 -44.79 0 8 -1 104 307.348 8

Activity (Go SEA)

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