UCSF

ZINC41264851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 27 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) 2.63 3.62 -55.03 1 7 -1 102 394.517 7
Lo Low (pH 4.5-6) 3.00 5.9 -12.67 2 7 0 96 395.525 6

Activity (Go SEA)

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