UCSF

ZINC01535891

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 35 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) 5.18 0.9 -108.06 0 9 -2 123 485.935 8
Lo Low (pH 4.5-6) 5.18 0.97 -76.21 1 9 -1 124 486.943 8

Activity (Go SEA)

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