UCSF

ZINC45752002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 2.45 5.17 -2.89 0 2 0 12 205.301 3
Lo Low (pH 4.5-6) 2.45 7.42 -35.71 1 2 1 14 206.309 3

Activity (Go SEA)

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