UCSF

ZINC44406989

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 17 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) 2.40 6.93 -47.5 3 3 1 45 232.351 5
Lo Low (pH 4.5-6) 2.40 7.17 -103.86 4 3 2 47 233.359 5

Activity (Go SEA)

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