UCSF

ZINC35164704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 34 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) 6.36 15.14 -68.98 1 5 0 65 527.503 13
Lo Low (pH 4.5-6) 6.36 14.36 -45.43 2 5 1 62 528.511 13

Activity (Go SEA)

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