UCSF

ZINC19742830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 24 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) 3.06 5.29 -34.74 2 4 1 37 339.475 8
Hi High (pH 8-9.5) 3.06 3.02 -6.96 1 4 0 36 338.467 8
Mid Mid (pH 6-8) 3.06 5.41 -38.75 2 4 1 37 339.475 8

Activity (Go SEA)

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