UCSF

ZINC33781019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 37 No

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) 5.42 14.35 -42.54 0 7 -1 96 498.555 11
Lo Low (pH 4.5-6) 5.42 13.22 -22.58 1 7 0 93 499.563 11

Activity (Go SEA)

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