UCSF

ZINC41675101

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 0.16 7.47 -62.75 3 5 1 64 302.483 13
Mid Mid (pH 6-8) 0.16 7.84 -57.79 3 5 1 64 302.483 13
Mid Mid (pH 6-8) 0.16 9.94 -128.41 4 5 2 66 303.491 13

Activity (Go SEA)

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