UCSF

ZINC42890656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 4.50 7.34 -50.14 3 1 1 28 280.825 2
Mid Mid (pH 6-8) 4.50 7.01 -4.72 2 1 0 26 279.817 2

Activity (Go SEA)

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