UCSF

ZINC12348263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 30 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) 4.37 6.21 -45.46 1 8 -1 117 443.892 8
Lo Low (pH 4.5-6) 3.91 7.64 -16.42 2 8 0 114 444.9 8

Activity (Go SEA)

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