UCSF

ZINC17194854

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 33 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) 2.21 4.21 -61.94 1 8 -1 102 451.499 7
Mid Mid (pH 6-8) 2.21 6.55 -78.12 2 8 0 104 452.507 7
Lo Low (pH 4.5-6) 2.21 5.74 -60.21 3 8 1 101 453.515 7

Activity (Go SEA)

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