UCSF

ZINC42324055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 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) 2.64 7.2 -10.71 0 4 0 60 257.337 7
Mid Mid (pH 6-8) 2.64 9.05 -49.41 1 4 1 61 258.345 7

Activity (Go SEA)

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