UCSF

ZINC52898012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.81 8.52 -29.94 2 2 1 29 245.321 5
Hi High (pH 8-9.5) 2.81 7.48 -5.06 1 2 0 25 244.313 5
Lo Low (pH 4.5-6) 2.81 8.21 -99.43 3 2 2 31 246.329 5

Activity (Go SEA)

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

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