UCSF

ZINC13154737

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 22 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) 2.66 8.99 -20.66 1 5 0 58 293.326 3
Hi High (pH 8-9.5) 2.66 9.95 -66.97 0 5 -1 61 292.318 3

Activity (Go SEA)

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