UCSF

ZINC48871872

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 18 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) -0.98 0.46 -43.29 4 7 1 97 257.314 6
Hi High (pH 8-9.5) -0.98 -1.82 -14.93 3 7 0 96 256.306 6

Activity (Go SEA)

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