UCSF

ZINC09970424

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 10 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) -1.86 1.98 -210.99 0 7 -3 130 166.989 3
Lo Low (pH 4.5-6) -1.86 0.84 -102.25 1 7 -2 127 167.997 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.