UCSF

ZINC34698735

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 6.07 14.87 -53.38 2 4 1 45 471.665 8
Mid Mid (pH 6-8) 6.07 12.46 -12.09 1 4 0 44 470.657 8

Activity (Go SEA)

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