UCSF

ZINC22763091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 15 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) -0.59 -1.02 -43.22 3 4 1 43 214.333 4
Hi High (pH 8-9.5) -0.59 0.85 -33.09 3 4 1 43 214.333 4
Mid Mid (pH 6-8) -0.59 1.1 -96.96 4 4 2 45 215.341 4
Lo Low (pH 4.5-6) -0.59 1.23 -116.92 4 4 2 45 215.341 4

Activity (Go SEA)

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