UCSF

ZINC33236891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2009 22 Yes

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Annotations

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) 1.45 6.26 -10.06 0 4 0 36 295.386 3
Mid Mid (pH 6-8) 1.45 8.59 -42.84 1 4 1 38 296.394 3
Mid Mid (pH 6-8) 1.45 6.65 -41.37 1 4 1 38 296.394 3
Lo Low (pH 4.5-6) 1.45 8.97 -121.26 2 4 2 39 297.402 3

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