UCSF

ZINC40185450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.06 14.93 -11.75 1 5 0 56 510.465 9
Mid Mid (pH 6-8) 7.06 15.48 -39.6 2 5 1 57 511.473 9

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