UCSF

ZINC44242206

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 0.62 6.21 -75.8 1 6 0 74 274.371 4
Mid Mid (pH 6-8) 0.62 3.85 -44.61 0 6 -1 72 273.363 4

Activity (Go SEA)

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