UCSF

ZINC45338743

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 22 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) 0.40 2.49 -44.58 6 5 1 100 298.366 6
Mid Mid (pH 6-8) 0.40 2.19 -11.45 5 5 0 98 297.358 6

Activity (Go SEA)

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