UCSF

ZINC41998114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 18 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) -1.16 -0.85 -19.8 3 8 0 105 251.246 4
Hi High (pH 8-9.5) -0.98 -3.51 -52.45 2 8 -1 111 250.238 4

Activity (Go SEA)

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