UCSF

ZINC12402825

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 38 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) 4.72 0.87 -54.85 0 10 -1 143 521.546 8
Mid Mid (pH 6-8) 4.90 1 -53.62 0 10 -1 143 521.546 8
Mid Mid (pH 6-8) 4.90 2.12 -56.8 0 10 -1 143 521.546 8
Mid Mid (pH 6-8) 4.72 1.01 -54.29 0 10 -1 143 521.546 8

Activity (Go SEA)

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