UCSF

ZINC44132329

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 1.86 2.16 -5.63 1 4 0 42 277.364 2
Mid Mid (pH 6-8) 1.86 4.23 -35.24 2 4 1 43 278.372 2

Activity (Go SEA)

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