UCSF

ZINC62978859

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 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) 0.86 6.57 -33.99 3 3 1 34 288.459 4
Hi High (pH 8-9.5) 0.86 4.49 -1.86 2 3 0 32 287.451 4
Mid Mid (pH 6-8) 0.86 6.83 -93.23 4 3 2 35 289.467 4

Activity (Go SEA)

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

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