UCSF

ZINC20582870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 16 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) 1.61 5.92 -11.11 3 5 0 76 221.308 5
Lo Low (pH 4.5-6) 2.03 9.07 -22.31 5 5 0 79 223.324 5

Activity (Go SEA)

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