UCSF

ZINC04810076

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 28 No

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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) 3.53 8.62 -14.65 1 6 0 62 379.46 5
Mid Mid (pH 6-8) 3.53 9.3 -40.43 2 6 1 63 380.468 5
Mid Mid (pH 6-8) 3.53 9.29 -40.48 2 6 1 63 380.468 5

Activity (Go SEA)

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