UCSF

ZINC06091046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 10 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) -0.37 -2.86 -18.63 3 5 0 78 145.093 1
Hi High (pH 8-9.5) 0.26 -3.66 -42.29 2 5 -1 84 144.085 0

Activity (Go SEA)

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