UCSF

ZINC36693312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 28 No

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Annotations

Vendors

    None

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) 2.03 2.36 -29.05 1 10 0 148 402.388 5
Hi High (pH 8-9.5) 2.10 -0.25 -58.3 0 10 -1 154 401.38 5

Activity (Go SEA)

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