UCSF

ZINC41681624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.52 1.47 -31.77 2 4 1 29 230.376 7
Mid Mid (pH 6-8) 0.52 2.83 -98.42 3 4 2 34 231.384 7
Mid Mid (pH 6-8) 0.52 3.94 -103.74 3 4 2 30 231.384 7
Lo Low (pH 4.5-6) 0.52 5.3 -181.64 4 4 3 35 232.392 7

Activity (Go SEA)

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