UCSF

ZINC40033809

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 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) 2.19 9.02 -15.09 0 8 0 80 430.512 5
Mid Mid (pH 6-8) 2.19 11.22 -54.52 1 8 1 81 431.52 5

Activity (Go SEA)

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