UCSF

ZINC62467005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 16 Yes

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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) 2.10 8.57 -40.05 1 4 0 59 216.24 2
Mid Mid (pH 6-8) 2.10 8.13 -55.81 0 4 -1 57 215.232 2

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

No pre-computed analogs available. Try a structural similarity search.