UCSF

ZINC24631108

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 28 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) 4.31 12.58 -33.85 2 4 1 34 375.54 7
Mid Mid (pH 6-8) 4.31 10.84 -7.06 1 4 0 33 374.532 7
Mid Mid (pH 6-8) 4.31 14.23 -46.36 2 4 1 38 375.54 7

Activity (Go SEA)

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