UCSF

ZINC04810477

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) 4.36 11 -12.53 1 5 0 53 377.488 5
Mid Mid (pH 6-8) 4.36 11.64 -38.83 2 5 1 54 378.496 5
Mid Mid (pH 6-8) 4.36 11.63 -38.83 2 5 1 54 378.496 5

Activity (Go SEA)

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