UCSF

ZINC19843439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 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) -0.05 -0.11 -43.53 3 3 1 34 186.323 4
Mid Mid (pH 6-8) -0.05 2.21 -102.07 4 3 2 35 187.331 4
Lo Low (pH 4.5-6) -0.05 4.72 -185.41 5 3 3 37 188.339 4

Activity (Go SEA)

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