UCSF

ZINC45658656

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.75 2.8 -108.53 4 4 2 45 257.422 4
Hi High (pH 8-9.5) 0.75 0.42 -43.19 3 4 1 43 256.414 4
Hi High (pH 8-9.5) 0.75 2.71 -30.67 3 4 1 43 256.414 4

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