UCSF

ZINC15319548

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 33 No

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Annotations

None

Vendors

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) 4.41 11.22 -15.08 0 7 0 91 467.543 7
Mid Mid (pH 6-8) 4.59 10.96 -13.39 0 7 0 91 467.543 7
Mid Mid (pH 6-8) 4.59 11.78 -29.16 0 7 0 91 467.543 7
Mid Mid (pH 6-8) 4.41 11.17 -14.4 0 7 0 91 467.543 7

Activity (Go SEA)

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