UCSF

ZINC17014652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 28 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) 3.41 10.32 -54.15 0 7 -1 106 377.376 6
Mid Mid (pH 6-8) 3.41 10.36 -15.15 1 7 0 103 378.384 6
Mid Mid (pH 6-8) 2.82 10.74 -14.09 0 7 0 100 378.384 6

Activity (Go SEA)

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