UCSF

ZINC45839351

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2010 17 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) 1.44 1.83 -6.29 0 5 0 51 239.319 4
Mid Mid (pH 6-8) 1.44 4.03 -37.59 1 5 1 53 240.327 4

Activity (Go SEA)

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