UCSF

ZINC53382118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 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) 1.96 4.2 -42.81 2 3 1 29 255.407 5
Mid Mid (pH 6-8) 1.96 2.84 -3.32 1 3 0 24 254.399 5
Lo Low (pH 4.5-6) 1.96 6.39 -119.7 3 3 2 30 256.415 5
Lo Low (pH 4.5-6) 1.96 5.03 -34.81 2 3 1 26 255.407 5

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

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