UCSF

ZINC09089734

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 29 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) 1.72 6.79 -13.72 3 8 0 113 392.415 4
Ref Reference (pH 7) 1.72 6.8 -13.98 3 8 0 113 392.415 4

Activity (Go SEA)

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