UCSF

ZINC03943034

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 31 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) 5.27 -1.67 -58.1 2 4 1 46 431.943 1
Lo Low (pH 4.5-6) 5.27 -1.62 -103.63 3 4 2 48 432.951 1

Activity (Go SEA)

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