UCSF

ZINC12402762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 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) 4.54 2.01 -9.64 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.72 2.24 -10.23 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.72 3.23 -10.02 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.54 2.12 -11.05 0 6 0 82 455.507 6

Activity (Go SEA)

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