UCSF

ZINC41543904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 No

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Annotations

Vendors

    None

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) 2.41 6.23 -54.07 0 6 -1 79 354.313 3
Lo Low (pH 4.5-6) 2.41 5.49 -14.62 1 6 0 76 355.321 3

Activity (Go SEA)

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