UCSF

ZINC37818277

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 No

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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) 0.13 -0.62 -57.5 5 7 1 106 295.363 1
Hi High (pH 8-9.5) 0.31 -3.12 -41.52 3 7 -1 111 293.347 1
Mid Mid (pH 6-8) 0.13 -0.48 -11.45 4 7 0 105 294.355 1

Activity (Go SEA)

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