UCSF

ZINC20075493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 0.35 1.64 -55.17 3 5 -1 95 221.236 6
Lo Low (pH 4.5-6) 0.35 0.52 -15.17 4 5 0 92 222.244 6

Activity (Go SEA)

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