UCSF

ZINC19667459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 Yes

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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) 2.18 4 -38.37 3 3 1 40 237.367 6
Hi High (pH 8-9.5) 2.18 6.18 -28.59 3 3 1 40 237.367 6
Lo Low (pH 4.5-6) 2.18 6.39 -107.65 4 3 2 41 238.375 6

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