UCSF

ZINC59104476

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 32 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) 4.15 7.51 -53.38 0 8 -1 107 447.448 4
Lo Low (pH 4.5-6) 3.70 9.98 -14.35 1 8 0 104 448.456 4

Activity (Go SEA)

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