UCSF

ZINC59662761

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 17 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) -2.42 6.08 -39.43 2 5 1 72 238.311 6
Mid Mid (pH 6-8) -2.42 6.47 -130.76 3 5 2 73 239.319 6

Activity (Go SEA)

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