UCSF

ZINC08172406

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 19 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) 1.01 4.76 -10.23 1 5 0 50 258.325 4
Lo Low (pH 4.5-6) 1.01 5.54 -24.85 2 5 0 51 259.333 4

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