UCSF

ZINC44132489

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 2.31 2.23 -3.45 1 3 0 33 227.348 2
Mid Mid (pH 6-8) 2.31 4.33 -30.86 2 3 1 34 228.356 2

Activity (Go SEA)

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