UCSF

ZINC13282254

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 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) 2.56 9.16 -9.03 0 4 0 44 262.284 5
Mid Mid (pH 6-8) 2.56 9.65 -40.87 1 4 1 45 263.292 5

Activity (Go SEA)

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