UCSF

ZINC48229413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 21 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) 0.67 1.93 -59.58 0 7 -1 100 284.251 2
Mid Mid (pH 6-8) 0.22 4.7 -23.1 1 7 0 97 285.259 2

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

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