UCSF

ZINC42653994

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2010 15 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) 1.22 4.62 -10.62 1 4 0 46 268.114 2
Lo Low (pH 4.5-6) 1.22 5.07 -34.35 2 4 1 48 269.122 2

Activity (Go SEA)

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