UCSF

ZINC05525467

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 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) 1.93 7.39 -45.03 1 4 1 34 263.361 4
Mid Mid (pH 6-8) 1.93 5.05 -8.57 0 4 0 33 262.353 4

Activity (Go SEA)

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