UCSF

ZINC13550815

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 No

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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) 2.31 9.45 -73.17 1 8 0 93 454.523 10
Mid Mid (pH 6-8) 2.76 8.28 -57.32 2 8 1 90 455.531 9
Mid Mid (pH 6-8) 1.73 9.26 -58.38 1 8 1 87 455.531 10

Activity (Go SEA)

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