UCSF

ZINC05729551

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 24 No

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Annotations

None

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) 4.29 7.26 -17.17 1 7 0 108 361.404 4
Hi High (pH 8-9.5) 3.37 -2.92 -43.69 0 7 -1 106 360.396 5

Activity (Go SEA)

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