UCSF

ZINC32917281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 22 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) -0.19 5.15 -15.67 3 7 0 97 301.35 4
Mid Mid (pH 6-8) -0.19 5.43 -42.02 4 7 1 98 302.358 4
Mid Mid (pH 6-8) -0.19 5.54 -46.47 4 7 1 98 302.358 4

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

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