UCSF

ZINC42175662

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 13 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) 1.73 5.92 -43.93 1 3 -1 42 194.283 1
Mid Mid (pH 6-8) 1.73 5.75 -22.62 2 3 0 43 195.291 1
Lo Low (pH 4.5-6) 1.00 5.58 -10.18 2 3 0 44 195.291 1

Activity (Go SEA)

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