UCSF

ZINC58552971

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 18 Yes

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) -0.79 5.39 -21.91 2 8 0 105 262.254 2
Mid Mid (pH 6-8) -0.72 5.08 -61.92 1 8 -1 111 261.246 2
Mid Mid (pH 6-8) -0.79 5.22 -59.75 1 8 -1 103 261.246 2
Lo Low (pH 4.5-6) -0.79 5.88 -48.06 3 8 1 106 263.262 2

Activity (Go SEA)

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

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