UCSF

ZINC41971609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 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) 2.26 7.27 -10.12 0 5 0 61 270.288 6
Lo Low (pH 4.5-6) 2.26 7.73 -38.94 1 5 1 62 271.296 6

Activity (Go SEA)

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