UCSF

ZINC14231311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 18 No

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Annotations

None

Vendors

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) 0.29 -0.9 -15.54 3 5 0 75 251.261 3
Lo Low (pH 4.5-6) 0.29 1.15 -48.69 4 5 1 77 252.269 3

Activity (Go SEA)

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