UCSF

ZINC41248236

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.26 -0.69 -55.71 1 8 -1 111 354.408 5
Lo Low (pH 4.5-6) 0.63 1.25 -14.47 2 8 0 105 355.416 4

Activity (Go SEA)

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