UCSF

ZINC49956432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 14 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) 1.19 6 -35.95 1 4 1 44 198.242 5
Mid Mid (pH 6-8) 1.19 3.56 -7.13 0 4 0 43 197.234 5

Activity (Go SEA)

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