UCSF

ZINC06294211

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 25 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) 3.82 10.03 -60.45 0 4 -1 60 334.395 6
Mid Mid (pH 6-8) 4.26 1.29 -18.05 1 4 0 57 335.403 5
Mid Mid (pH 6-8) 3.23 0.76 -9.31 0 4 0 54 335.403 6

Activity (Go SEA)

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