UCSF

ZINC02032157

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 16 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) 1.19 0.72 -43.99 0 5 -1 79 238.244 1
Lo Low (pH 4.5-6) 1.00 1.34 -10.52 1 5 0 72 239.252 1

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

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