UCSF

ZINC70670217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 42 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) 4.36 13.83 -14.59 1 8 0 92 560.654 6
Mid Mid (pH 6-8) 3.66 11.29 -51.76 0 8 -1 98 559.646 6
Lo Low (pH 4.5-6) 4.36 15.36 -49.39 2 8 1 93 561.662 6

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

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