UCSF

ZINC13347334

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 29 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) 2.57 7.53 -41.62 1 8 0 99 411.487 5
Hi High (pH 8-9.5) 2.57 5.32 -47.89 0 8 -1 98 410.479 5
Mid Mid (pH 6-8) 2.76 6.41 -24.56 1 8 0 92 411.487 5
Lo Low (pH 4.5-6) 2.75 8.56 -60.97 2 8 1 93 412.495 5

Activity (Go SEA)

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