UCSF

ZINC05274709

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 5.11 9.23 -11.29 2 3 0 41 340.492 2
Lo Low (pH 4.5-6) 5.18 7.62 -32.38 3 3 1 46 341.5 2

Activity (Go SEA)

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