UCSF

ZINC33820795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 29 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) 3.15 6.49 -54.9 2 5 -1 98 405.555 4
Lo Low (pH 4.5-6) 3.15 4.51 -15.22 3 5 0 95 406.563 4

Activity (Go SEA)

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