UCSF

ZINC40138782

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 6.00 11.63 -26.77 2 7 0 93 465.509 7
Hi High (pH 8-9.5) 6.00 12.64 -73.29 1 7 -1 96 464.501 7

Activity (Go SEA)

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