UCSF

ZINC05045162

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 29 No

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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) 1.55 6.94 -50.38 2 7 1 84 396.467 7
Mid Mid (pH 6-8) 0.97 7.64 -59.31 1 7 1 81 396.467 7
Lo Low (pH 4.5-6) 2.00 6.9 -124.65 3 7 2 85 397.475 6
Lo Low (pH 4.5-6) 0.97 7.92 -124.14 2 7 2 82 397.475 7

Activity (Go SEA)

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