UCSF

ZINC39112797

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 Yes

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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) 1.21 2.73 -31.15 2 3 1 28 201.334 5
Mid Mid (pH 6-8) 1.21 3.48 -32.26 2 3 1 28 201.334 5
Lo Low (pH 4.5-6) 1.21 5.22 -102.68 3 3 2 29 202.342 5

Activity (Go SEA)

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