UCSF

ZINC50659524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 0.61 -0.16 -38.83 2 7 -1 113 329.159 3
Lo Low (pH 4.5-6) 0.61 -0.08 -11.97 3 7 0 111 330.167 3
Lo Low (pH 4.5-6) 0.61 0.3 -40.68 3 7 0 114 330.167 3

Activity (Go SEA)

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

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