UCSF

ZINC37228644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.43 6.88 -38.68 2 3 1 33 273.4 5
Mid Mid (pH 6-8) 3.43 9.32 -116.43 3 3 2 34 274.408 5
Mid Mid (pH 6-8) 3.43 8.12 -36.74 2 3 1 30 273.4 5

Activity (Go SEA)

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