UCSF

ZINC25461113

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 3.73 10.29 -47.83 2 5 1 52 369.485 6
Mid Mid (pH 6-8) 3.73 8.19 -12.72 1 5 0 51 368.477 6

Activity (Go SEA)

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