UCSF

ZINC37099279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.55 7.72 -34.77 2 2 1 16 293.397 3
Mid Mid (pH 6-8) 3.55 8.6 -107.24 3 2 2 21 294.405 3
Mid Mid (pH 6-8) 3.55 6.32 -41.87 2 2 1 20 293.397 3

Activity (Go SEA)

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