UCSF

ZINC36338622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 44 No

Download: MOL2 SDF SMILES Flexibase

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) 3.23 13.7 -54.03 4 10 1 123 628.86 11
Mid Mid (pH 6-8) 3.23 11.7 -17.4 3 10 0 122 627.852 11

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

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