UCSF

ZINC38580928

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 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) -2.18 0.1 -92.75 7 13 0 197 415.347 6
Lo Low (pH 4.5-6) -2.18 0.57 -114.53 8 13 1 199 416.355 6

Activity (Go SEA)

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