UCSF

ZINC04946343

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 18 No

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Annotations

Vendors

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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) -0.47 1.31 -25.7 3 7 0 96 268.298 1
Mid Mid (pH 6-8) 0.26 0.94 -55.25 2 7 -1 93 267.29 1

Activity (Go SEA)

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