UCSF

ZINC22852475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 21 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) 3.00 10.62 -110.46 2 3 2 18 290.451 5
Hi High (pH 8-9.5) 3.00 5.99 -3.16 0 3 0 16 288.435 5
Mid Mid (pH 6-8) 3.00 8.45 -35.42 1 3 1 17 289.443 5

Activity (Go SEA)

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