UCSF

ZINC62962603

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 No

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) 1.03 1.2 -63.58 3 4 1 65 275.438 4
Mid Mid (pH 6-8) 1.03 2.59 -47.48 3 4 1 65 275.438 4
Mid Mid (pH 6-8) 1.03 0.88 -9.67 2 4 0 63 274.43 4
Lo Low (pH 4.5-6) 1.03 2.87 -142.49 4 4 2 66 276.446 4

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

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