UCSF

ZINC40185711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 4.23 12.46 -19.15 1 6 0 67 426.52 6
Lo Low (pH 4.5-6) 4.23 13 -39.44 2 6 1 68 427.528 6

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