UCSF

ZINC49694993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 49 No

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Annotations

Vendors

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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) 8.31 21.56 -183.24 4 5 3 38 671.353 18
Hi High (pH 8-9.5) 8.31 20.45 -52.77 2 5 1 36 669.337 18
Hi High (pH 8-9.5) 8.31 17.86 -8.71 1 5 0 35 668.329 18
Hi High (pH 8-9.5) 8.31 18.76 -34.64 2 5 1 36 669.337 18
Mid Mid (pH 6-8) 8.31 20.31 -104.47 3 5 2 37 670.345 18

Activity (Go SEA)

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