UCSF

ZINC44239602

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 0.76 2.82 -49.77 3 5 1 60 258.386 6
Mid Mid (pH 6-8) 0.76 4.6 -122.25 4 5 2 62 259.394 6

Activity (Go SEA)

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