UCSF

ZINC09008728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 4.02 0.52 -26.87 1 7 0 108 493.61 10
Mid Mid (pH 6-8) 4.58 0.11 -22.74 1 7 0 108 493.61 10
Mid Mid (pH 6-8) 4.58 1.72 -30.61 1 7 0 108 493.61 10
Mid Mid (pH 6-8) 4.40 -0.13 -22.16 1 7 0 108 493.61 10

Activity (Go SEA)

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