UCSF

ZINC39881704

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 5.15 12.79 -37.45 2 7 1 82 454.506 6
Mid Mid (pH 6-8) 5.15 12.7 -18.26 1 7 0 81 453.498 6

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