UCSF

ZINC06025639

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2006 28 No

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) 3.84 0.09 -13.26 1 4 0 57 393.439 5
Mid Mid (pH 6-8) 3.26 -0.03 -21.18 0 4 0 54 393.439 5

Activity (Go SEA)

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