UCSF

ZINC37180752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 0.69 4.53 -102.58 4 2 2 32 170.3 3
Hi High (pH 8-9.5) 0.69 4.15 -31.84 3 2 1 30 169.292 3
Mid Mid (pH 6-8) 0.69 2.1 -42.44 3 2 1 31 169.292 3

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

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