UCSF

ZINC09008114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 34 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) 5.36 13.39 -70.66 1 6 0 74 529.475 11
Mid Mid (pH 6-8) 4.78 1.09 -46.76 1 6 1 68 530.483 11

Activity (Go SEA)

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