UCSF

ZINC09422459

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 32 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) 3.05 6.06 -13.82 0 7 0 74 430.46 5
Lo Low (pH 4.5-6) 3.05 0.98 -120.73 2 7 2 76 432.476 5

Activity (Go SEA)

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