UCSF

ZINC62798463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 0.01 5.38 -52.1 3 4 1 55 280.298 4
Hi High (pH 8-9.5) 0.01 5.09 -11.16 2 4 0 53 279.29 4
Lo Low (pH 4.5-6) 0.01 6.01 -85.7 4 4 2 56 281.306 4

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

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