UCSF

ZINC36132505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 2.43 9.66 -56.91 0 4 -1 60 294.346 6
Lo Low (pH 4.5-6) 2.43 7.21 -6.13 1 4 0 58 295.354 6

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Rings

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