UCSF

ZINC35164449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 36 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) 5.49 15.2 -71.02 1 8 0 111 493.604 14
Lo Low (pH 4.5-6) 5.49 14.43 -52.73 2 8 1 108 494.612 14

Activity (Go SEA)

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