UCSF

ZINC69947362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 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) -0.31 7.94 -104.12 3 8 2 85 343.435 4
Hi High (pH 8-9.5) -0.31 6.47 -16 1 8 0 79 341.419 4
Mid Mid (pH 6-8) -0.31 6.78 -43.33 2 8 1 80 342.427 4
Mid Mid (pH 6-8) -0.31 7.62 -61.93 2 8 1 84 342.427 4

Activity (Go SEA)

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

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