UCSF

ZINC49478508

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 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) 0.14 5.17 -66.2 2 5 0 74 228.292 6
Lo Low (pH 4.5-6) 0.14 3.19 -41.91 3 5 1 71 229.3 6

Activity (Go SEA)

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