UCSF

ZINC12402782

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 33 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) 5.17 1.07 -11.44 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.35 1.24 -10.94 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.35 2.54 -17.45 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.17 1.11 -11.88 0 6 0 82 506.407 6

Activity (Go SEA)

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