UCSF

ZINC70193620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.28 4.91 -41.1 2 4 1 32 298.495 7
Mid Mid (pH 6-8) 2.28 6.95 -91.64 3 4 2 34 299.503 7
Mid Mid (pH 6-8) 2.28 7.06 -101.56 3 4 2 34 299.503 7
Lo Low (pH 4.5-6) 2.28 9.07 -185.07 4 4 3 35 300.511 7

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

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