UCSF

ZINC34680793

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 3.48 10.66 -15.63 1 6 0 66 398.482 5
Lo Low (pH 4.5-6) 3.48 11.02 -46.95 2 6 1 67 399.49 5

Activity (Go SEA)

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