UCSF

ZINC02479325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 19 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) 1.83 3.49 -53.09 1 6 -1 87 312.425 6
Hi High (pH 8-9.5) 1.83 2.44 -132.32 0 6 -2 89 311.417 6
Lo Low (pH 4.5-6) 1.89 4.78 -18.38 1 6 0 81 313.433 6

Activity (Go SEA)

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

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