UCSF

ZINC21814093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 1.98 2.04 -42.98 3 6 -1 99 342.198 4
Mid Mid (pH 6-8) 1.98 1.97 -12.27 4 6 0 97 343.206 4
Mid Mid (pH 6-8) 1.98 2.53 -38.82 4 6 0 100 343.206 4

Activity (Go SEA)

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