UCSF

ZINC06725113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 30 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) 4.41 12.49 -13.3 1 4 0 49 416.546 6
Mid Mid (pH 6-8) 4.47 9.88 -7.89 1 4 0 53 416.546 6

Activity (Go SEA)

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