UCSF

ZINC38003539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.74 3.67 -6.96 2 3 0 41 256.227 5
Mid Mid (pH 6-8) 1.74 5.05 -49.82 3 3 1 46 257.235 5

Activity (Go SEA)

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