UCSF

ZINC04067985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 37 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) 6.10 -1.28 -12.06 1 6 0 85 495.575 8
Mid Mid (pH 6-8) 6.10 -0.98 -13.8 1 6 0 85 495.575 8
Mid Mid (pH 6-8) 6.28 0.05 -12.57 1 6 0 85 495.575 8
Mid Mid (pH 6-8) 6.28 -1.17 -12.2 1 6 0 85 495.575 8

Activity (Go SEA)

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