UCSF

ZINC51398159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 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) 1.42 5.64 -44.02 3 4 1 57 244.318 5
Hi High (pH 8-9.5) 1.42 5.6 -24.88 3 4 1 57 244.318 5
Hi High (pH 8-9.5) 1.42 5.23 -6.23 2 4 0 55 243.31 5
Lo Low (pH 4.5-6) 1.42 5.99 -104.3 4 4 2 58 245.326 5

Activity (Go SEA)

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