UCSF

ZINC47075117

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2010 24 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) 2.19 4.67 -42.78 2 6 -1 98 338.368 3
Mid Mid (pH 6-8) 1.74 6.08 -18.22 3 6 0 95 339.376 3

Activity (Go SEA)

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