UCSF

ZINC32123577

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) 2.09 5.1 -55.09 2 5 -1 88 277.325 5
Lo Low (pH 4.5-6) 2.09 5.55 -56.63 3 5 0 90 278.333 5

Activity (Go SEA)

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