UCSF

ZINC19790481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 26 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) 3.47 10.7 -9.09 1 5 0 57 366.49 5
Hi High (pH 8-9.5) 4.00 9.69 -45.06 0 5 -1 59 365.482 6
Lo Low (pH 4.5-6) 4.00 10.82 -28.72 2 5 1 59 367.498 6

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