UCSF

ZINC20266742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 1.02 6.7 -31.73 4 4 1 68 259.308 4
Mid Mid (pH 6-8) 1.02 5.94 -9.4 3 4 0 66 258.3 4

Activity (Go SEA)

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