UCSF

ZINC05420177

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 14 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) -0.58 0.81 -14.76 1 5 0 79 216.262 6
Hi High (pH 8-9.5) -0.58 -0.15 -52.24 1 5 -1 79 215.254 6

Activity (Go SEA)

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