UCSF

ZINC59547028

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 24 No

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Annotations

Vendors

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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) 5.99 12.39 -62.21 2 4 0 65 343.552 19
Lo Low (pH 4.5-6) 5.99 10.42 -38.24 3 4 1 62 344.56 19

Activity (Go SEA)

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