UCSF

ZINC09379996

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 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) 3.94 11.16 -57.74 0 8 -1 97 496.58 12
Mid Mid (pH 6-8) 3.36 0.89 -23.36 0 8 0 91 497.588 12

Activity (Go SEA)

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