UCSF

ZINC41706182

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 2.03 11.28 -49.74 1 4 1 41 272.372 4
Mid Mid (pH 6-8) 2.03 10.77 -19.15 0 4 0 40 271.364 4

Activity (Go SEA)

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