UCSF

ZINC39892748

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 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) 4.88 9.77 -16.16 1 4 0 55 364.832 3
Lo Low (pH 4.5-6) 4.88 10.15 -33.51 2 4 1 56 365.84 3

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