UCSF

ZINC40430009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 22 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) 2.27 -1.8 -13.87 4 6 0 107 302.282 4
Hi High (pH 8-9.5) 2.27 -1.03 -48.2 3 6 -1 110 301.274 4
Hi High (pH 8-9.5) 2.27 -1.04 -53.84 3 6 -1 110 301.274 4

Activity (Go SEA)

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