UCSF

ZINC19976484

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 No

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) 0.44 3.3 -13.07 1 6 0 71 287.319 3
Mid Mid (pH 6-8) 0.44 4.67 -54.2 2 6 1 76 288.327 3

Activity (Go SEA)

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