UCSF

ZINC14222981

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 16 Yes

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) 1.19 1.36 -42.74 0 5 -1 67 244.292 5
Mid Mid (pH 6-8) 1.19 1.21 -12.06 1 5 0 65 245.3 5

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Rings

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