UCSF

ZINC07709498

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 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) 1.81 -5.96 -14.36 2 6 0 88 339.376 3
Hi High (pH 8-9.5) 1.81 -5.4 -47.71 1 6 -1 90 338.368 3

Activity (Go SEA)

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