UCSF

ZINC33822161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 22 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) 6.37 14.92 -43.95 0 2 -1 40 303.466 14
Lo Low (pH 4.5-6) 6.37 12.95 -6.01 1 2 0 37 304.474 14

Activity (Go SEA)

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