UCSF

ZINC41539208

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 1.75 8.5 -19.02 0 6 0 72 337.379 5
Lo Low (pH 4.5-6) 1.75 8.95 -45.08 1 6 1 74 338.387 5

Activity (Go SEA)

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