UCSF

ZINC04790796

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 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) 4.49 12.58 -20.5 1 7 0 92 390.374 4
Mid Mid (pH 6-8) 4.49 12.97 -44.03 2 7 1 93 391.382 4

Activity (Go SEA)

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