UCSF

ZINC34526962

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 3.75 6.85 -10.61 2 5 0 71 325.393 5
Mid Mid (pH 6-8) 3.75 6.78 -46.05 1 5 -1 73 324.385 5
Mid Mid (pH 6-8) 3.75 6.97 -27.42 2 5 0 74 325.393 5

Activity (Go SEA)

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