UCSF

ZINC00629103

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 19 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) 5.37 7.65 -45.3 1 3 -1 52 448.916 2
Lo Low (pH 4.5-6) 5.37 6.8 -10.85 2 3 0 49 449.924 2

Activity (Go SEA)

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