UCSF

ZINC38423036

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.52 12.09 -127.62 4 3 2 42 362.517 10
Hi High (pH 8-9.5) 4.52 10.74 -41.41 3 3 1 38 361.509 10
Hi High (pH 8-9.5) 4.52 9.69 -5.99 2 3 0 33 360.501 10
Mid Mid (pH 6-8) 4.52 11.04 -42.6 3 3 1 38 361.509 10

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