UCSF

ZINC04953152

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 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) 2.57 0.63 -56.25 1 7 -1 106 420.441 9
Mid Mid (pH 6-8) 2.57 0.61 -66.66 1 7 -1 106 420.441 8
Mid Mid (pH 6-8) 1.99 0.42 -64.41 0 7 -1 103 420.441 9

Activity (Go SEA)

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