UCSF

ZINC12402823

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 36 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) 3.98 0.71 -55.89 0 10 -1 143 493.492 7
Mid Mid (pH 6-8) 4.16 0.94 -55 0 10 -1 143 493.492 7
Mid Mid (pH 6-8) 4.16 2.16 -62.36 0 10 -1 143 493.492 7
Mid Mid (pH 6-8) 3.98 0.82 -57.28 0 10 -1 143 493.492 7

Activity (Go SEA)

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