UCSF

ZINC05142099

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 29 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) 4.14 14.24 -9.78 0 4 0 46 419.575 7
Lo Low (pH 4.5-6) 4.14 14.52 -36.63 1 4 1 47 420.583 7

Activity (Go SEA)

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