UCSF

ZINC14277621

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 41 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) 3.33 10.94 -48.57 1 13 -1 162 561.575 11
Mid Mid (pH 6-8) 3.33 11.32 -61.48 2 13 0 163 562.583 11

Activity (Go SEA)

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