UCSF

ZINC39864166

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 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) 5.06 9.21 -11.62 0 5 0 60 398.919 3
Lo Low (pH 4.5-6) 5.06 9.69 -46.98 1 5 1 61 399.927 3

Activity (Go SEA)

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