UCSF

ZINC58632385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 22 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) -2.60 -2.86 -167.68 3 11 -2 180 333.193 5
Mid Mid (pH 6-8) -2.60 -4.01 -72.29 4 11 -1 177 334.201 5

Activity (Go SEA)

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