UCSF

ZINC42866124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.14 2.52 -100.17 5 4 2 69 228.365 6
Mid Mid (pH 6-8) 1.14 0.91 -34.21 4 4 1 68 227.357 6

Activity (Go SEA)

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