UCSF

ZINC09272786

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 4.77 11.63 -52.12 2 6 1 71 528.467 7
Mid Mid (pH 6-8) 4.19 -0.42 -61.68 1 6 1 68 528.467 7

Activity (Go SEA)

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