UCSF

ZINC36678106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.97 5.32 -107.72 5 3 2 56 221.348 6
Mid Mid (pH 6-8) -0.94 6.23 -27.85 5 3 1 56 220.34 6

Activity (Go SEA)

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