UCSF

ZINC41029075

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 17 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 3.42 -44.02 3 3 1 40 235.351 4
Mid Mid (pH 6-8) 1.47 5.33 -37.91 3 3 1 40 235.351 4
Lo Low (pH 4.5-6) 1.47 5.65 -117.5 4 3 2 41 236.359 4

Activity (Go SEA)

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