UCSF

ZINC19808458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 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) 2.15 3.69 -23.09 4 12 0 167 420.389 6
Hi High (pH 8-9.5) 2.15 4.62 -57.31 3 12 -1 169 419.381 6

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