UCSF

ZINC20246282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 2.62 7.64 -35.06 2 3 1 29 272.416 8
Mid Mid (pH 6-8) 2.63 6.57 -42.63 2 3 1 33 272.416 8
Lo Low (pH 4.5-6) 2.62 8.02 -74.26 3 3 2 31 273.424 8

Activity (Go SEA)

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