UCSF

ZINC60210740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 33 No

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Annotations

Vendors

    None

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) 5.17 13.64 -16.18 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.33 13.5 -13.25 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.35 12.21 -13.11 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.75 12.97 -63.44 0 6 -1 88 505.399 6

Activity (Go SEA)

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