UCSF

ZINC39899883

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.48 14.34 -12.57 0 4 0 36 408.501 7
Lo Low (pH 4.5-6) 6.48 14.99 -31.29 1 4 1 38 409.509 7

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