UCSF

ZINC32123576

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.25 4.98 -59.67 2 5 -1 88 277.325 4
Lo Low (pH 4.5-6) 2.25 5.44 -51.17 3 5 0 90 278.333 4

Activity (Go SEA)

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