UCSF

ZINC41130920

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) 3.77 7.26 -11.36 1 5 0 72 398.278 7
Mid Mid (pH 6-8) 3.77 7.27 -45.28 0 5 -1 75 397.27 7

Activity (Go SEA)

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