UCSF

ZINC43417104

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) 3.47 11.27 -10.88 0 3 0 40 301.821 6
Lo Low (pH 4.5-6) 3.47 11.95 -34.31 1 3 1 41 302.829 6

Activity (Go SEA)

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