UCSF

ZINC59267921

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 26 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) 8.71 15.62 -130.74 0 4 -2 72 390.545 21
Mid Mid (pH 6-8) 8.71 14.46 -41.49 1 4 -1 70 391.553 21

Activity (Go SEA)

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