UCSF

ZINC37172018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 No

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) 3.16 7.92 -37.34 1 2 1 17 247.815 7
Mid Mid (pH 6-8) 3.16 5.6 -4.33 0 2 0 16 246.807 7

Activity (Go SEA)

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