UCSF

ZINC41536717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.28 7.94 -105.42 1 5 -2 82 344.417 3
Lo Low (pH 4.5-6) 3.28 5.95 -58.53 2 5 -1 79 345.425 3

Activity (Go SEA)

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