UCSF

ZINC04963089

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 29 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) 4.13 8.58 -19.06 2 9 0 129 396.403 6
Mid Mid (pH 6-8) 4.58 6.82 -38.09 1 9 -1 132 395.395 6

Activity (Go SEA)

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