UCSF

ZINC36791500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.99 7.45 -33.75 1 2 1 17 247.815 6
Mid Mid (pH 6-8) 2.99 5.64 -3.93 0 2 0 16 246.807 6

Activity (Go SEA)

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