UCSF

ZINC48346427

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 19 No

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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) 2.64 7.18 -8.86 1 5 0 71 277.711 4
Lo Low (pH 4.5-6) 2.64 7.55 -41.97 2 5 1 72 278.719 4

Activity (Go SEA)

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