UCSF

ZINC34625848

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 3.39 8.28 -11.65 1 5 0 60 360.413 6
Lo Low (pH 4.5-6) 3.39 8.73 -39.24 2 5 1 62 361.421 6

Activity (Go SEA)

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