UCSF

ZINC00159241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 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) 1.22 4.4 -13.8 1 3 0 42 184.626 2
Lo Low (pH 4.5-6) 1.22 4.15 -30.52 2 3 1 43 185.634 2

Activity (Go SEA)

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