UCSF

ZINC52343779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 3.91 8.46 -45.19 2 4 0 66 262.353 5
Mid Mid (pH 6-8) 3.91 7.99 -46.84 1 4 -1 65 261.345 5

Activity (Go SEA)

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