UCSF

ZINC06752930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 3.34 4.92 -13.75 3 7 0 99 393.443 6
Mid Mid (pH 6-8) 3.34 5.7 -51.79 2 7 -1 102 392.435 6

Activity (Go SEA)

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