UCSF

ZINC38285840

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 21 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) 2.37 7.65 -49.1 2 3 1 34 281.379 5
Mid Mid (pH 6-8) 2.37 5.66 -9.34 1 3 0 32 280.371 5

Activity (Go SEA)

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