UCSF

ZINC31516002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 34 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) -0.36 0.75 -69.06 9 10 1 175 464.502 7
Mid Mid (pH 6-8) -0.36 0.45 -37.35 8 10 0 173 463.494 7

Activity (Go SEA)

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