UCSF

ZINC34994130

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 0.98 4.69 -49.38 2 4 1 56 194.21 5
Mid Mid (pH 6-8) 0.98 3.31 -8.37 1 4 0 51 193.202 5

Activity (Go SEA)

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