UCSF

ZINC00340991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 25 Yes

Other Names:

MFCD00376780

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) 2.76 16.81 -27.41 2 9 1 94 341.399 4
Lo Low (pH 4.5-6) 2.76 17.35 -33.7 2 9 1 94 341.399 4
Lo Low (pH 4.5-6) 2.76 17.05 -86.16 3 9 2 96 342.407 4

Activity (Go SEA)

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

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