UCSF

ZINC33577404

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 25 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) 1.16 1.05 -17.4 4 7 0 107 340.383 5
Mid Mid (pH 6-8) 1.16 1.51 -42.3 5 7 1 108 341.391 5

Activity (Go SEA)

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