UCSF

ZINC11535752

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 16 No

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Annotations

Vendors

    None

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) 1.88 5.45 -43.81 0 4 -1 66 225.264 3
Mid Mid (pH 6-8) 1.30 1.6 -15.18 0 4 0 60 226.272 4
Mid Mid (pH 6-8) 1.88 5.9 -45.21 0 4 -1 66 225.264 4
Mid Mid (pH 6-8) 1.88 1.78 -11.5 1 4 0 64 226.272 4

Activity (Go SEA)

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