UCSF

ZINC34992737

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.75 4.36 -9.66 1 3 0 45 269.142 5
Mid Mid (pH 6-8) 1.75 5.71 -60.52 2 3 1 50 270.15 5

Activity (Go SEA)

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