UCSF

ZINC06187076

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 27 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) 3.87 9.34 -59.96 0 5 -1 70 364.421 7
Mid Mid (pH 6-8) 3.29 0.79 -10.52 0 5 0 63 365.429 7
Mid Mid (pH 6-8) 4.32 1.31 -18.3 1 5 0 66 365.429 6

Activity (Go SEA)

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