UCSF

ZINC37990586

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 10 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) 0.80 1.68 -35.09 3 2 1 29 143.254 3
Mid Mid (pH 6-8) 0.80 1.83 -36.37 3 2 1 29 143.254 3
Mid Mid (pH 6-8) 0.80 3.02 -100.74 4 2 2 33 144.262 3

Activity (Go SEA)

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