UCSF

ZINC52883028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) -0.32 -0.36 -36.93 3 7 -1 108 245.266 4
Mid Mid (pH 6-8) -0.32 -0.05 -53.79 4 7 0 110 246.274 4
Lo Low (pH 4.5-6) -0.32 0.1 -56.05 5 7 1 111 247.282 4

Activity (Go SEA)

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

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