UCSF

ZINC37825533

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -2.31 5.06 -16.31 2 5 0 94 256.309 6
Mid Mid (pH 6-8) -2.31 5.4 -61.81 3 5 1 96 257.317 6

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Rings

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