UCSF

ZINC37300676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.10 5.22 -74.04 2 6 0 91 379.276 8
Hi High (pH 8-9.5) 2.10 3.05 -48.9 1 6 -1 90 378.268 8

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Rings

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