UCSF

ZINC09426735

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 24 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) 2.44 -2.75 -18.14 1 7 0 90 342.38 6
Lo Low (pH 4.5-6) 2.44 -3.1 -37.31 2 7 1 91 343.388 6

Activity (Go SEA)

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