UCSF

ZINC22221903

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 2.91 4.87 -46.32 3 2 1 31 253.435 4
Mid Mid (pH 6-8) 2.91 6.39 -28.63 3 2 1 30 253.435 4
Lo Low (pH 4.5-6) 2.91 7.12 -122.41 4 2 2 32 254.443 4

Activity (Go SEA)

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