UCSF

ZINC34671948

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 1.30 6.39 -18.3 1 7 0 75 360.439 5
Lo Low (pH 4.5-6) 1.30 6.71 -45.92 2 7 1 76 361.447 5

Activity (Go SEA)

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