UCSF

ZINC04576454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 28 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) 1.86 -4.3 -50.31 4 6 1 94 401.87 8
Mid Mid (pH 6-8) 1.27 -4.45 -59.08 3 6 1 91 401.87 8

Activity (Go SEA)

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