UCSF

ZINC20925196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 3.88 9.29 -54.46 2 4 1 44 330.448 10
Mid Mid (pH 6-8) 3.88 7.87 -8.3 1 4 0 40 329.44 10

Activity (Go SEA)

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