UCSF

ZINC59020268

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2011 17 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) 2.07 7.35 -11.12 1 4 0 47 229.283 4
Lo Low (pH 4.5-6) 2.07 7.87 -39.1 2 4 1 48 230.291 4

Activity (Go SEA)

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