UCSF

ZINC49018545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 25 No

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) -2.11 -5.05 -144.47 3 13 -2 195 376.218 5
Mid Mid (pH 6-8) -2.11 -6.21 -54.76 4 13 -1 192 377.226 5

Activity (Go SEA)

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