UCSF

ZINC23873046

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 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) 3.71 10.13 -40.04 2 5 1 44 383.491 9
Mid Mid (pH 6-8) 3.71 9.02 -45.94 2 5 1 47 383.491 9

Activity (Go SEA)

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