UCSF

ZINC42870484

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) -0.16 6.21 -110.05 2 7 -2 121 298.339 7
Lo Low (pH 4.5-6) -0.16 4.23 -56.35 3 7 -1 119 299.347 7

Activity (Go SEA)

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