UCSF

ZINC12032522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 23 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) 5.10 7.92 -8.95 1 4 0 54 324.405 3
Mid Mid (pH 6-8) 4.61 8.07 -44.39 0 4 -1 53 323.397 4
Lo Low (pH 4.5-6) 4.61 8.46 -14.62 1 4 0 51 324.405 4

Activity (Go SEA)

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