UCSF

ZINC20130713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 24 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) 3.65 9.01 -43.19 3 4 1 46 342.488 2
Mid Mid (pH 6-8) 3.65 6.55 -14.05 2 4 0 44 341.48 2

Activity (Go SEA)

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