UCSF

ZINC45662691

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.96 5.58 -42.56 3 3 1 40 297.488 4
Hi High (pH 8-9.5) 2.96 5.2 -2.22 2 3 0 38 296.48 4
Lo Low (pH 4.5-6) 2.96 6.99 -112.39 4 3 2 41 298.496 4

Activity (Go SEA)

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