UCSF

ZINC13220951

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 20 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) 4.89 8.57 -15.01 0 2 0 26 264.372 0
Lo Low (pH 4.5-6) 4.89 8.95 -23.8 1 2 1 27 265.38 0

Activity (Go SEA)

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