UCSF

ZINC37039231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.31 1.74 -50.73 3 5 1 68 278.442 6
Mid Mid (pH 6-8) 0.31 3.2 -129.41 4 5 2 69 279.45 6

Activity (Go SEA)

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