UCSF

ZINC34681075

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) 1.92 8.75 -16.02 1 7 0 75 404.417 5
Lo Low (pH 4.5-6) 1.92 9.11 -49.66 2 7 1 76 405.425 5

Activity (Go SEA)

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