UCSF

ZINC35807938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 5.04 10.18 -8.84 1 4 0 45 481.971 10
Mid Mid (pH 6-8) 5.04 11.97 -63.52 2 4 1 46 482.979 10

Activity (Go SEA)

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