UCSF

ZINC42462239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) 0.51 6.16 -64.17 1 5 0 65 240.303 3
Mid Mid (pH 6-8) 0.51 4.1 -44.97 0 5 -1 64 239.295 3

Activity (Go SEA)

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