UCSF

ZINC42767098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 1.03 4.14 -37.71 4 6 1 82 296.391 9
Mid Mid (pH 6-8) 1.03 1.84 -7.65 3 6 0 80 295.383 9

Activity (Go SEA)

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