UCSF

ZINC08767801

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 22 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) 2.92 7.91 -16.84 2 5 0 71 292.342 5
Hi High (pH 8-9.5) 3.38 7.79 -42.12 1 5 -1 74 291.334 5

Activity (Go SEA)

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