UCSF

ZINC26439421

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 1.48 5.12 -37.03 2 5 1 46 324.489 5
Mid Mid (pH 6-8) 1.48 5.02 -36.71 2 5 1 46 324.489 5

Activity (Go SEA)

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