UCSF

ZINC40181207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 2.33 11.83 -14.66 0 7 0 71 435.572 9
Lo Low (pH 4.5-6) 2.33 11.99 -30.69 1 7 1 73 436.58 9

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