UCSF

ZINC35186251

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 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) 4.17 6.39 -39.75 0 4 -1 61 323.825 5
Mid Mid (pH 6-8) 4.17 5.18 -9.53 1 4 0 59 324.833 5

Activity (Go SEA)

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