UCSF

ZINC43425693

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.02 4.12 -38.05 2 3 1 29 239.383 3
Mid Mid (pH 6-8) 2.02 6.35 -108.73 3 3 2 30 240.391 3

Activity (Go SEA)

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