UCSF

ZINC44679483

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.97 4.94 -42.45 3 3 1 32 272.416 4
Hi High (pH 8-9.5) 1.97 3.8 -2.83 2 3 0 27 271.408 4
Mid Mid (pH 6-8) 1.97 7.39 -92.29 4 3 2 33 273.424 4
Lo Low (pH 4.5-6) 1.97 7.29 -115.79 4 3 2 33 273.424 4

Activity (Go SEA)

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