UCSF

ZINC40026085

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 27 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) 5.09 10.01 -54.93 0 4 -1 60 466.138 5
Lo Low (pH 4.5-6) 5.09 9.24 -10.32 1 4 0 58 467.146 5

Activity (Go SEA)

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