UCSF

ZINC39918584

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 36 Yes

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Annotations

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) 2.08 9.19 -21.96 2 9 0 117 486.528 5
Lo Low (pH 4.5-6) 2.08 9.39 -53.61 3 9 1 118 487.536 5

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