UCSF

ZINC21169674

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 22 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) 4.52 9.6 -46.47 0 4 -1 53 306.37 2
Mid Mid (pH 6-8) 4.52 10.64 -78.43 3 4 2 57 309.394 2
Mid Mid (pH 6-8) 4.52 9.96 -14.84 1 4 0 55 307.378 2
Lo Low (pH 4.5-6) 4.52 9.51 -24.65 2 4 1 56 308.386 2

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

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