UCSF

ZINC37052116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -1.29 1.66 -14.21 3 6 0 99 278.699 3
Lo Low (pH 4.5-6) -1.29 1.97 -54.43 4 6 1 101 279.707 3

Activity (Go SEA)

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