UCSF

ZINC06556626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 22 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) 3.90 6.96 -7.86 1 3 0 41 312.438 2
Mid Mid (pH 6-8) 3.90 7.79 -30.65 2 3 1 43 313.446 2

Activity (Go SEA)

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