UCSF

ZINC36134968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 1.21 4.97 -45.36 3 3 1 48 239.314 4
Hi High (pH 8-9.5) 1.21 4.68 -7.69 2 3 0 46 238.306 4

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Rings

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