UCSF

ZINC05250682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 19 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) 1.05 -7.73 -17.05 1 6 0 83 304.393 3
Hi High (pH 8-9.5) 1.05 -7.15 -46.37 0 6 -1 85 303.385 3

Activity (Go SEA)

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