UCSF

ZINC52886441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 11 Yes

Other Names:

MFCD11109723

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) 1.45 4.62 -43.49 3 1 1 28 148.229 2
Hi High (pH 8-9.5) 1.45 4.22 -2.36 2 1 0 26 147.221 2

Activity (Go SEA)

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

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