UCSF

ZINC69980214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 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) 1.99 5.46 -34.18 1 5 0 65 293.392 2
Hi High (pH 8-9.5) 1.99 3.34 -39.98 0 5 -1 64 292.384 2
Mid Mid (pH 6-8) 1.99 5.86 -57.56 2 5 1 63 294.4 2
Mid Mid (pH 6-8) 1.99 3.73 -21.27 1 5 0 62 293.392 2

Activity (Go SEA)

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

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