UCSF

ZINC00949338

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 28 No

Download: MOL2 SDF SMILES Flexibase

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) 5.07 11.26 -13.97 1 7 0 97 391.408 5
Mid Mid (pH 6-8) 5.14 9.63 -37.49 0 7 -1 103 390.4 5

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

No pre-computed analogs available. Try a structural similarity search.