UCSF

ZINC33820833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 29 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) 3.52 10.26 -94.48 0 5 -2 97 400.515 4
Mid Mid (pH 6-8) 3.52 9.48 -57.59 1 5 -1 94 401.523 4
Lo Low (pH 4.5-6) 3.52 7.51 -18.66 2 5 0 92 402.531 4

Activity (Go SEA)

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