UCSF

ZINC22857393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 28 No

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Annotations

Vendors

    None

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) -0.02 4.38 -18.81 2 8 0 101 382.42 6
Lo Low (pH 4.5-6) -0.02 4.81 -50.87 3 8 1 102 383.428 6

Activity (Go SEA)

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