UCSF

ZINC34993166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.31 5.76 -10.21 2 4 0 50 292.423 10
Mid Mid (pH 6-8) 3.31 6.93 -43.82 3 4 1 55 293.431 10

Activity (Go SEA)

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