UCSF

ZINC09424052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 33 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) 3.73 10.54 -62.71 0 6 -1 79 440.475 5
Mid Mid (pH 6-8) 4.18 -0.3 -28.24 1 6 0 76 441.483 4

Activity (Go SEA)

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