UCSF

ZINC05687086

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 17 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) 1.43 6.65 -9.84 1 6 0 67 233.275 1
Hi High (pH 8-9.5) 1.43 6.15 -38.38 0 6 -1 65 232.267 1
Mid Mid (pH 6-8) 1.43 5.49 -42.65 2 6 1 68 234.283 1

Activity (Go SEA)

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