UCSF

ZINC98091034

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 21 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) -3.58 -10.19 -51.46 5 12 -1 198 324.162 3
Hi High (pH 8-9.5) -3.13 -11.79 -207.28 3 12 -3 204 322.146 3
Mid Mid (pH 6-8) -3.58 -9.08 -140.29 4 12 -2 201 323.154 3

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

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