UCSF

ZINC06294653

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 31 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) 4.85 12.97 -53.04 0 4 -1 60 414.456 6
Mid Mid (pH 6-8) 4.86 1.77 -9.59 1 4 0 57 415.464 6
Mid Mid (pH 6-8) 4.27 1.63 -10.25 0 4 0 54 415.464 6

Activity (Go SEA)

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