UCSF

ZINC36870531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.23 0.15 -55.73 2 4 1 59 222.33 5
Mid Mid (pH 6-8) -0.23 -2.09 -12.46 1 4 0 58 221.322 5

Activity (Go SEA)

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