UCSF

ZINC05835275

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 2.45 1.04 -13.21 4 7 0 100 376.24 4
Lo Low (pH 4.5-6) 2.45 1.39 -29.52 5 7 1 101 377.248 4

Activity (Go SEA)

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