UCSF

ZINC20566625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 1.72 3.07 -5.74 1 4 0 51 229.283 2
Lo Low (pH 4.5-6) 1.72 4.42 -46.48 2 4 1 56 230.291 2

Activity (Go SEA)

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