UCSF

ZINC19365748

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 0.29 3.75 -78.94 2 4 2 15 230.4 6
Hi High (pH 8-9.5) 0.29 1.23 -35.49 1 4 1 14 229.392 6
Lo Low (pH 4.5-6) 0.29 6.14 -171.19 3 4 3 17 231.408 6

Activity (Go SEA)

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