UCSF

ZINC28364389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 19 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) 2.54 3.53 -9.94 3 4 0 78 258.273 0
Mid Mid (pH 6-8) 2.54 4.04 -49.15 2 4 -1 81 257.265 0

Activity (Go SEA)

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