UCSF

ZINC41544648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 35 No

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Annotations

Vendors

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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) 4.41 11.5 -67.32 1 7 0 83 476.573 7
Lo Low (pH 4.5-6) 4.41 10.75 -49.14 2 7 1 81 477.581 7

Activity (Go SEA)

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