UCSF

ZINC09110863

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 27 No

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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) 2.25 5.12 -62.17 1 6 -1 90 366.393 6
Mid Mid (pH 6-8) 1.67 5.5 -11.19 1 6 0 84 367.401 6
Mid Mid (pH 6-8) 2.70 5.24 -18.45 2 6 0 87 367.401 5

Activity (Go SEA)

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