UCSF

ZINC04354094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 38 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) 6.24 12.21 -15.05 2 9 0 115 558.418 12
Hi High (pH 8-9.5) 6.43 11.42 -51.06 1 9 -1 122 557.41 12

Activity (Go SEA)

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