UCSF

ZINC37504748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 2.50 5.11 -47.34 3 3 1 48 227.372 3
Mid Mid (pH 6-8) 2.50 4.85 -6.56 2 3 0 46 226.364 3

Activity (Go SEA)

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