UCSF

ZINC06622664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 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) 2.96 8.67 -66.52 0 5 -1 70 366.437 5
Mid Mid (pH 6-8) 2.96 -0.11 -9.42 1 5 0 66 367.445 5
Mid Mid (pH 6-8) 2.37 -0.14 -17.1 0 5 0 63 367.445 5

Activity (Go SEA)

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