UCSF

ZINC41212990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) 4.54 5.29 -10.47 3 5 0 81 325.393 3
Hi High (pH 8-9.5) 4.54 6.06 -54.41 2 5 -1 84 324.385 3

Activity (Go SEA)

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