UCSF

ZINC59779775

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 30 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) 0.30 11.8 -80.45 4 7 1 106 451.609 20
Mid Mid (pH 6-8) 0.30 11.5 -48.83 3 7 0 105 450.601 20

Activity (Go SEA)

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