UCSF

ZINC05358339

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 11 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) 2.00 7.21 -43.65 0 2 -1 40 155.217 5
Lo Low (pH 4.5-6) 2.00 5.24 -5.5 1 2 0 37 156.225 5

Activity (Go SEA)

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