UCSF

ZINC34561140

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 0.04 -0.08 -10.01 5 6 0 103 236.275 1
Lo Low (pH 4.5-6) 0.04 0.33 -32.5 6 6 1 105 237.283 1

Activity (Go SEA)

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