UCSF

ZINC44862251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 0.47 0.95 -47.11 5 6 1 92 245.347 8
Hi High (pH 8-9.5) 0.65 -0.37 -34.74 4 6 0 98 244.339 8

Activity (Go SEA)

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