UCSF

ZINC20678538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 20 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) 1.15 3.55 -59.43 2 5 1 68 301.363 4
Hi High (pH 8-9.5) 0.97 0.13 -48.62 0 5 -1 73 299.347 4
Hi High (pH 8-9.5) 1.15 1.14 -18 1 5 0 66 300.355 4

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