UCSF

ZINC01546148

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 30 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) 8.93 0.82 -5.13 0 3 0 27 467.506 8
Mid Mid (pH 6-8) 8.93 0.96 -28.88 1 3 1 28 468.514 8

Activity (Go SEA)

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