UCSF

ZINC25180593

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 19 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 8.75 -14.97 1 4 0 47 257.337 5
Mid Mid (pH 6-8) 2.37 9.23 -44.21 2 4 1 48 258.345 5

Activity (Go SEA)

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