UCSF

ZINC12532281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 30 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) 2.47 9.44 -21.69 1 8 0 116 439.522 6
Ref Reference (pH 7) 2.47 9.47 -22.05 1 8 0 116 439.522 6
Ref Reference (pH 7) 2.47 9.44 -21.7 1 8 0 116 439.522 6
Mid Mid (pH 6-8) 2.29 7.87 -51.86 0 8 -1 122 438.514 6

Activity (Go SEA)

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