UCSF

ZINC13569612

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 2.07 6.66 -42.37 2 4 1 47 301.41 8
Lo Low (pH 4.5-6) 2.07 6.95 -104.76 3 4 2 48 302.418 8

Activity (Go SEA)

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