UCSF

ZINC23281480

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 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) 3.71 8.84 -37.76 1 2 1 8 314.291 8
Mid Mid (pH 6-8) 3.71 8.92 -32.84 1 2 1 8 314.291 8
Lo Low (pH 4.5-6) 3.71 11 -116.48 2 2 2 9 315.299 8

Activity (Go SEA)

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