UCSF

ZINC01413612

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 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) 0.38 8.21 -14.21 2 7 0 87 229.247 1
Lo Low (pH 4.5-6) 0.38 7.93 -27.81 3 7 1 85 230.255 1

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

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