UCSF

ZINC38592515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 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) 2.36 3.32 -50.6 0 6 -1 87 322.344 2
Lo Low (pH 4.5-6) 2.36 4.31 -55.51 1 6 0 89 323.352 2

Activity (Go SEA)

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