UCSF

ZINC05403035

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 23 Yes

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Annotations

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) 2.51 2.7 -12.17 2 6 0 85 352.799 4
Mid Mid (pH 6-8) 2.51 2.76 -45.79 1 6 -1 87 351.791 4

Activity (Go SEA)

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