UCSF

ZINC39885593

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) 5.17 10.98 -18.32 1 5 0 64 383.498 7
Hi High (pH 8-9.5) 4.69 8.72 -54.8 0 5 -1 70 382.49 7

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