UCSF

ZINC86861103

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 12 Yes

CAS Number: 81-83-4

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) 1.36 0.44 -40.4 4 2 1 48 162.212 0
Mid Mid (pH 6-8) 1.36 -0.39 -5.43 3 2 0 46 161.204 0

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

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