UCSF

ZINC55211452

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 0.17 4.78 -98.64 4 4 2 52 257.403 6
Mid Mid (pH 6-8) 0.17 4.36 -43.26 3 4 1 51 256.395 6

Activity (Go SEA)

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