UCSF

ZINC12231470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 3.61 3.77 -8.65 0 8 0 80 410.453 5
Mid Mid (pH 6-8) 3.61 3.93 -32.15 1 8 1 81 411.461 5

Activity (Go SEA)

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