UCSF

ZINC37469352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.77 4.09 -35.69 2 3 1 29 227.372 4
Mid Mid (pH 6-8) 1.77 6.35 -98.9 3 3 2 30 228.38 4

Activity (Go SEA)

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