UCSF

ZINC35367866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) 1.47 5.49 -72.87 4 5 2 51 279.432 6
Hi High (pH 8-9.5) 1.47 3.05 -5.01 2 5 0 49 277.416 6
Mid Mid (pH 6-8) 1.47 5.17 -37.25 3 5 1 50 278.424 6
Lo Low (pH 4.5-6) 1.47 7.7 -179.35 5 5 3 52 280.44 6

Activity (Go SEA)

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