UCSF

ZINC41202891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 3.45 8.54 -33.02 2 2 1 16 267.462 7
Mid Mid (pH 6-8) 3.45 9.74 -101.7 3 2 2 21 268.47 7

Activity (Go SEA)

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