UCSF

ZINC31916986

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 1.58 6.04 -18.19 2 3 0 43 233.34 2
Mid Mid (pH 6-8) 1.58 6.46 -30.81 3 3 1 45 234.348 2

Activity (Go SEA)

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