UCSF

ZINC02613892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 33 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) 6.98 11.32 -21.65 2 6 0 87 476.627 7
Mid Mid (pH 6-8) 7.43 10.08 -51.77 1 6 -1 90 475.619 7

Activity (Go SEA)

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