UCSF

ZINC04944436

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 23 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) 2.48 4.02 -10.82 3 6 0 95 331.397 4
Mid Mid (pH 6-8) 3.11 2.05 -41.8 2 6 -1 101 330.389 4
Mid Mid (pH 6-8) 3.11 2.53 -28.15 3 6 0 103 331.397 4

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