UCSF

ZINC06896478

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 17 Yes

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) 1.70 4.87 -53.34 0 4 -1 66 223.211 1
Lo Low (pH 4.5-6) 1.70 5.28 -59.65 1 4 0 67 224.219 1

Activity (Go SEA)

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