UCSF

ZINC39856430

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.88 11.6 -17.96 1 4 0 51 352.459 6
Hi High (pH 8-9.5) 5.06 9.25 -47.25 0 4 -1 58 351.451 6

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