UCSF

ZINC09012342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 31 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) 2.65 -0.13 -64.31 1 8 -1 116 424.429 8
Mid Mid (pH 6-8) 1.62 -0.31 -57.91 0 8 -1 113 424.429 9

Activity (Go SEA)

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