UCSF

ZINC60220202

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 17 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) 0.31 2.29 -42.76 0 7 -1 88 253.625 2
Mid Mid (pH 6-8) 0.31 2.82 -18.17 1 7 0 90 254.633 2

Activity (Go SEA)

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