UCSF

ZINC21952429

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 2.90 6.93 -55.94 0 4 -1 62 262.672 4
Lo Low (pH 4.5-6) 2.90 7.37 -68.66 1 4 0 63 263.68 4

Activity (Go SEA)

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