UCSF

ZINC36634457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.62 8.69 -9.24 0 4 0 44 250.323 5
Lo Low (pH 4.5-6) 2.62 9.17 -32.23 1 4 1 45 251.331 5

Activity (Go SEA)

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