UCSF

ZINC06582089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 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) 4.79 10.3 -10.04 1 3 0 54 336.412 6
Hi High (pH 8-9.5) 4.79 11.42 -60.36 0 3 -1 57 335.404 6

Activity (Go SEA)

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