UCSF

ZINC01621280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 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) 0.54 6.51 -15.75 2 6 0 93 216.248 4
Lo Low (pH 4.5-6) 0.54 6.77 -43.25 3 6 1 95 217.256 4
Lo Low (pH 4.5-6) 0.54 2.4 -40.93 3 6 1 95 217.256 4

Activity (Go SEA)

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