UCSF

ZINC32103116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 No

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Annotations

Vendors

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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) 2.20 4.67 -46.44 5 3 1 67 248.375 3
Hi High (pH 8-9.5) 2.20 4.28 -6.32 4 3 0 65 247.367 3
Hi High (pH 8-9.5) 2.20 4.73 -56.68 4 3 0 64 247.367 3

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