UCSF

ZINC62153989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 38 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) 2.58 12.76 -43.19 0 9 -1 122 524.59 9
Mid Mid (pH 6-8) 2.58 12.01 -13.67 1 9 0 119 525.598 9

Activity (Go SEA)

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