UCSF

ZINC33820834

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) 2.77 11.17 -53.19 0 5 -1 91 401.523 4
Lo Low (pH 4.5-6) 2.77 9.2 -15.03 1 5 0 89 402.531 4

Activity (Go SEA)

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