UCSF

ZINC18206370

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 26 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) 5.48 7.94 -8.95 1 5 0 64 368.458 4
Ref Reference (pH 7) 5.48 8.24 -8.92 1 5 0 64 368.458 4
Mid Mid (pH 6-8) 4.99 8.27 -45.97 0 5 -1 63 367.45 5
Lo Low (pH 4.5-6) 4.99 8.41 -15.83 1 5 0 60 368.458 5

Activity (Go SEA)

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