UCSF

ZINC34680890

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 3.43 10.24 -16.77 1 6 0 66 420.435 5
Lo Low (pH 4.5-6) 3.43 10.61 -48.6 2 6 1 67 421.443 5

Activity (Go SEA)

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