UCSF

ZINC59815625

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 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) 2.77 9.61 -65.7 1 9 -1 127 521.618 9
Mid Mid (pH 6-8) 2.77 10.5 -121.41 0 9 -2 129 520.61 9

Activity (Go SEA)

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