UCSF

ZINC15321061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 34 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) 4.27 10.47 -12.32 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 10.28 -12.57 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 11.09 -19.19 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.27 10.48 -14.01 0 8 0 101 481.526 6

Activity (Go SEA)

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