UCSF

ZINC19819467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 3.03 16.59 -21.25 1 8 0 85 442.523 8
Mid Mid (pH 6-8) 3.03 17.08 -43.31 2 8 1 86 443.531 8

Activity (Go SEA)

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