UCSF

ZINC31261437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 27 No

CAS Number: 458-37-7

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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) 2.30 6.86 -24.98 2 6 0 93 368.385 8
Hi High (pH 8-9.5) 3.05 5.51 -52.4 2 6 -1 99 367.377 7

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