UCSF

ZINC37806153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.31 0.62 -43.39 3 6 1 69 287.409 4
Mid Mid (pH 6-8) -0.31 -0.55 -16.21 2 6 0 65 286.401 4
Lo Low (pH 4.5-6) -0.31 2.76 -101.59 4 6 2 70 288.417 4

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