UCSF

ZINC96125897

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 5.11 15.26 -100.8 2 7 2 91 435.524 7
Hi High (pH 8-9.5) 5.32 12.83 -13.69 1 7 0 87 433.508 7
Mid Mid (pH 6-8) 5.11 12.8 -50.59 1 7 1 89 434.516 7
Mid Mid (pH 6-8) 5.32 15.29 -45.94 2 7 1 89 434.516 7

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

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