UCSF

ZINC06382913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 2.25 8.53 -59.03 0 9 -1 133 393.331 6
Mid Mid (pH 6-8) 2.70 1.36 -32.02 1 9 0 129 394.339 5
Mid Mid (pH 6-8) 1.67 1.56 -25.19 0 9 0 126 394.339 6

Activity (Go SEA)

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