UCSF

ZINC62969711

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) 1.25 4.21 -40.18 1 4 1 34 255.382 6
Hi High (pH 8-9.5) 1.25 2.1 -7.02 0 4 0 33 254.374 6
Lo Low (pH 4.5-6) 1.25 6.35 -113.37 2 4 2 35 256.39 6

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

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