UCSF

ZINC63952346

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.90 6.06 -11.3 2 7 0 86 302.363 4
Mid Mid (pH 6-8) 0.96 4.6 -45.81 1 7 -1 93 301.355 4
Mid Mid (pH 6-8) 0.90 5.89 -48.63 1 7 -1 85 301.355 4

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

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