UCSF

ZINC03672850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 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) 3.94 5.69 -4.93 1 2 0 33 248.496 1
Mid Mid (pH 6-8) 3.94 5.26 -28.49 0 2 -1 31 247.488 1

Activity (Go SEA)

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