UCSF

ZINC37819199

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.95 4.03 -91.43 3 6 2 62 288.417 3
Hi High (pH 8-9.5) -0.95 0.49 -13.58 1 6 0 56 286.401 3
Mid Mid (pH 6-8) -0.95 2.89 -46.96 2 6 1 57 287.409 3

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