UCSF

ZINC01712066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 8 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) 0.45 1.33 -45.96 1 3 -1 52 116.14 2
Lo Low (pH 4.5-6) 0.45 0.43 -24.95 3 3 0 60 118.156 2

Activity (Go SEA)

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