UCSF

ZINC33682692

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 26 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) 2.59 11.2 -37.43 1 5 1 51 353.49 3
Mid Mid (pH 6-8) 2.59 10.81 -10.75 0 5 0 49 352.482 3

Activity (Go SEA)

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