UCSF

ZINC53341611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 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) 0.45 4.19 -78.57 3 5 2 46 266.389 7
Hi High (pH 8-9.5) 0.45 2.51 -5.53 1 5 0 41 264.373 7
Mid Mid (pH 6-8) 0.45 3.87 -41.77 2 5 1 45 265.381 7
Lo Low (pH 4.5-6) 0.45 6.39 -184.66 4 5 3 48 267.397 7

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

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