UCSF

ZINC01790352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 32 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) 4.37 14.94 -22.66 1 7 0 81 423.476 5
Mid Mid (pH 6-8) 4.37 15.26 -39.32 2 7 1 83 424.484 5
Lo Low (pH 4.5-6) 4.37 16.08 -32.93 3 7 1 86 424.484 5

Activity (Go SEA)

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