UCSF

ZINC47076506

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 1.95 7.34 -16.29 0 6 0 72 358.401 4
Lo Low (pH 4.5-6) 1.95 7.8 -49.39 1 6 1 73 359.409 4

Activity (Go SEA)

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