UCSF

ZINC60023624

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 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) 2.35 8.5 -51.89 2 5 1 50 355.437 5
Mid Mid (pH 6-8) 2.35 6.22 -9.86 1 5 0 48 354.429 5
Lo Low (pH 4.5-6) 2.35 8.96 -95.01 3 5 2 51 356.445 5

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

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