UCSF

ZINC09338443

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 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) 1.54 0.07 -17.62 3 8 0 133 370.408 6
Hi High (pH 8-9.5) 1.54 -7.72 -46.22 2 8 -1 134 369.4 6

Activity (Go SEA)

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