UCSF

ZINC37820388

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) -0.87 -2.17 -50.03 5 7 1 109 309.437 4
Hi High (pH 8-9.5) -0.87 -3.82 -43.56 3 7 -1 107 307.421 4
Mid Mid (pH 6-8) -0.87 -3.48 -17.36 4 7 0 105 308.429 4

Activity (Go SEA)

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