UCSF

ZINC40192702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 39 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) 5.63 15.85 -18.53 1 7 0 75 527.665 14
Mid Mid (pH 6-8) 5.63 16.34 -43.12 2 7 1 76 528.673 14

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