UCSF

ZINC45697098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) -0.73 -0.38 -114.07 4 5 2 75 252.38 6
Mid Mid (pH 6-8) -0.73 -1.53 -46.07 3 5 1 71 251.372 6

Activity (Go SEA)

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