UCSF

ZINC44610068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -1.28 4.68 -39.23 1 8 -1 108 275.292 3
Lo Low (pH 4.5-6) -1.28 2.92 -8.17 2 8 0 105 276.3 3

Activity (Go SEA)

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