UCSF

ZINC01437994

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 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) 3.80 5.75 -9.2 3 5 0 88 411.234 2
Lo Low (pH 4.5-6) 3.80 6.04 -58.78 4 5 1 89 412.242 2

Activity (Go SEA)

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