UCSF

ZINC40876622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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) 3.75 7.89 -12.59 1 3 0 38 250.301 3
Mid Mid (pH 6-8) 3.75 8.29 -30.22 2 3 1 39 251.309 3

Activity (Go SEA)

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