UCSF

ZINC70614193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 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) 0.87 1.83 -40 5 4 1 74 228.36 5
Lo Low (pH 4.5-6) 0.87 2.13 -119.28 6 4 2 75 229.368 5

Activity (Go SEA)

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