UCSF

ZINC39048713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 1.58 4.27 -31.28 3 2 1 30 151.233 0
Hi High (pH 8-9.5) 1.58 2.7 -1.74 2 2 0 29 150.225 0
Hi High (pH 8-9.5) 1.58 2.51 -39.71 3 2 1 31 151.233 0

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