UCSF

ZINC37039002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.37 2.85 -51.21 3 4 1 51 240.371 5
Mid Mid (pH 6-8) 0.37 4.64 -125.27 4 4 2 52 241.379 5

Activity (Go SEA)

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