UCSF

ZINC58341605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 21 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) 1.39 5.08 -96.2 4 5 2 51 291.443 4
Mid Mid (pH 6-8) 1.39 6.27 -68.53 4 5 2 48 291.443 4
Mid Mid (pH 6-8) 1.39 7.29 -175.73 5 5 3 52 292.451 4
Mid Mid (pH 6-8) 1.39 7.17 -121.06 4 5 2 51 291.443 4
Mid Mid (pH 6-8) 1.39 4.97 -53.17 3 5 1 50 290.435 4

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

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