UCSF

ZINC31914903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 4.08 8.85 -10.7 0 4 0 36 300.745 2
Mid Mid (pH 6-8) 4.08 9.25 -32.65 1 4 1 37 301.753 2

Activity (Go SEA)

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