UCSF

ZINC01450703

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 34 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) 5.77 12.82 -58.77 0 6 -1 83 489.598 5
Mid Mid (pH 6-8) 5.18 -1.14 -22.06 0 6 0 76 490.606 5

Activity (Go SEA)

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