UCSF

ZINC07105508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 20 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) 1.95 4.63 -13.36 1 5 0 60 272.304 5
Lo Low (pH 4.5-6) 1.95 5.01 -41.38 2 5 1 62 273.312 5

Activity (Go SEA)

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