UCSF

ZINC08779393

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 34 No

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Annotations

None

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) 2.34 -0.19 -52.06 2 8 1 89 467.542 9
Mid Mid (pH 6-8) 1.76 -0.26 -58.94 1 8 1 86 467.542 9

Activity (Go SEA)

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