UCSF

ZINC34685497

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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 10.21 -12.62 0 5 0 44 379.504 6
Mid Mid (pH 6-8) 2.37 12.56 -51.65 1 5 1 45 380.512 6

Activity (Go SEA)

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