UCSF

ZINC21943985

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 33 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) 1.67 8.2 -23.34 0 9 0 86 450.495 5
Mid Mid (pH 6-8) 1.67 10.54 -69.78 1 9 1 87 451.503 5

Activity (Go SEA)

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