UCSF

ZINC09730565

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2007 35 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) 6.35 1.13 -8.71 0 7 0 101 472.541 6
Mid Mid (pH 6-8) 6.53 1.29 -9.78 0 7 0 101 472.541 6
Mid Mid (pH 6-8) 6.53 2.35 -9.08 0 7 0 101 472.541 6
Mid Mid (pH 6-8) 6.35 1.17 -11.81 0 7 0 101 472.541 6

Activity (Go SEA)

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