UCSF

ZINC45694229

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 0.39 6.18 -37.64 4 5 1 70 250.37 7
Hi High (pH 8-9.5) 0.39 3.69 -35.99 4 5 1 71 250.37 7
Hi High (pH 8-9.5) 0.39 6.53 -98.53 5 5 2 72 251.378 7
Hi High (pH 8-9.5) 0.39 4.07 -92.91 5 5 2 72 251.378 7
Mid Mid (pH 6-8) 0.39 6.16 -78.66 5 5 2 72 251.378 7
Lo Low (pH 4.5-6) 0.39 6.54 -171.36 6 5 3 73 252.386 7

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