UCSF

ZINC38592737

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) 0.79 -0.19 -47.52 0 7 -1 97 310.289 3
Lo Low (pH 4.5-6) 0.33 2.43 -10.55 1 7 0 94 311.297 3
Lo Low (pH 4.5-6) 0.79 0.89 -56.57 1 7 0 98 311.297 3

Activity (Go SEA)

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