UCSF

ZINC36300908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 2.15 3.99 -46.92 3 4 1 49 327.246 4
Mid Mid (pH 6-8) 2.15 6.22 -112.75 4 4 2 50 328.254 4

Activity (Go SEA)

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