UCSF

ZINC41680102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.20 6.27 -100.23 5 4 2 61 279.428 8
Mid Mid (pH 6-8) 1.20 5.97 -40.08 4 4 1 60 278.42 8

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Rings

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