UCSF

ZINC40196577

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2010 33 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) 5.67 12.26 -12.49 1 6 0 69 445.563 9
Mid Mid (pH 6-8) 5.67 12.78 -33.43 2 6 1 71 446.571 9

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