UCSF

ZINC44239584

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 0.37 2.56 -49.42 3 5 1 60 244.359 5
Mid Mid (pH 6-8) 0.37 4.49 -114.16 4 5 2 62 245.367 5

Activity (Go SEA)

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