UCSF

ZINC07660482

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2006 24 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) 3.25 6.87 -49.23 3 5 1 63 360.45 8
Hi High (pH 8-9.5) 3.25 4.67 -16.61 2 5 0 61 359.442 8
Hi High (pH 8-9.5) 3.07 6.04 -38.51 2 5 0 69 359.442 8

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