UCSF

ZINC98091834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 32 No

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Annotations

None

Vendors

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) 1.82 13.25 -42.88 3 7 0 120 439.508 11
Mid Mid (pH 6-8) 1.82 12.96 -54.7 2 7 -1 119 438.5 11

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

No pre-computed analogs available. Try a structural similarity search.