UCSF

ZINC35017709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.09 7.59 -71.15 2 7 0 95 422.46 5
Mid Mid (pH 6-8) 2.09 4.55 -11.38 2 7 0 91 422.46 5
Mid Mid (pH 6-8) 2.09 6.67 -56.1 3 7 1 92 423.468 5
Mid Mid (pH 6-8) 2.09 5.49 -51.12 1 7 -1 94 421.452 5
Lo Low (pH 4.5-6) 2.09 8.39 -104.55 4 7 2 94 424.476 5

Activity (Go SEA)

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