UCSF

ZINC54893959

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 25 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) 3.80 3.3 -13.93 2 6 0 88 362.451 7
Mid Mid (pH 6-8) 3.80 4.06 -45.32 1 6 -1 90 361.443 7
Mid Mid (pH 6-8) 3.80 2.86 -48.47 1 6 -1 90 361.443 7
Lo Low (pH 4.5-6) 3.80 4.49 -12.76 3 6 0 90 363.459 7
Lo Low (pH 4.5-6) 3.80 3.73 -45.04 3 6 1 90 363.459 7

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

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