UCSF

ZINC40046583

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 No

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) 1.93 5.12 -63.9 1 7 -1 103 382.392 9
Lo Low (pH 4.5-6) 1.93 4.22 -14.29 2 7 0 100 383.4 9

Activity (Go SEA)

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