UCSF

ZINC14171294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 31 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) 4.45 7.09 -10.66 1 6 0 64 440.927 7
Lo Low (pH 4.5-6) 4.45 9.58 -42.26 2 6 1 65 441.935 7

Activity (Go SEA)

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