UCSF

ZINC06007840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.27 6.66 -52.31 0 5 -1 75 359.21 5
Lo Low (pH 4.5-6) 4.27 6.59 -16.66 1 5 0 72 360.218 5

Activity (Go SEA)

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