UCSF

ZINC03198681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 13 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) 1.23 6.37 -110.76 0 4 -2 80 184.191 3
Lo Low (pH 4.5-6) 1.23 4.4 -44.19 1 4 -1 77 185.199 3

Activity (Go SEA)

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