UCSF

ZINC59143040

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 24 No

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Annotations

Vendors

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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) 8.46 13.45 -38.16 1 3 -1 60 361.527 19
Mid Mid (pH 6-8) 8.46 14.57 -123.29 0 3 -2 63 360.519 19

Activity (Go SEA)

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