UCSF

ZINC14806663

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 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) 3.41 9.78 -45.04 0 2 -1 40 219.304 5
Lo Low (pH 4.5-6) 3.41 7.81 -4.76 1 2 0 37 220.312 5

Activity (Go SEA)

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