UCSF

ZINC37038385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.33 2.98 -49.65 3 4 1 51 226.344 3
Mid Mid (pH 6-8) -0.33 4.77 -123.92 4 4 2 52 227.352 3
Mid Mid (pH 6-8) -0.33 4.38 -38.95 3 4 1 51 226.344 3

Activity (Go SEA)

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