UCSF

ZINC16916225

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 22 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) 2.16 5.48 -10.62 1 7 0 91 318.358 3
Hi High (pH 8-9.5) 2.23 4.62 -36.52 0 7 -1 97 317.35 3
Mid Mid (pH 6-8) 2.16 8.21 -52.01 2 7 1 92 319.366 3

Activity (Go SEA)

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