UCSF

ZINC37598289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 21 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) 0.35 6.26 -51.71 1 7 -1 106 329.427 9
Hi High (pH 8-9.5) 0.53 5.11 -46.15 1 7 -1 98 329.427 9
Hi High (pH 8-9.5) 0.35 4.34 -101.79 0 7 -2 105 328.419 9
Mid Mid (pH 6-8) 0.53 6.97 -34.16 2 7 0 99 330.435 9

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

No pre-computed analogs available. Try a structural similarity search.