UCSF

ZINC37712894

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 0.50 1.53 -43.92 4 4 1 58 225.312 7
Mid Mid (pH 6-8) 0.50 2.87 -118.33 5 4 2 63 226.32 7
Mid Mid (pH 6-8) 0.50 2.5 -36.65 4 4 1 61 225.312 7

Activity (Go SEA)

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