UCSF

ZINC16475612

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 22 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) 2.66 8.75 -37.09 2 4 1 51 303.426 4
Mid Mid (pH 6-8) 2.66 6.61 -10.59 1 4 0 49 302.418 4

Activity (Go SEA)

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