UCSF

ZINC58547131

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 37 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) 5.20 8.75 -44.68 0 6 -1 69 533.571 4
Mid Mid (pH 6-8) 5.20 9.17 -18.06 1 6 0 67 534.579 4

Activity (Go SEA)

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