UCSF

ZINC28286814

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 29 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) 3.15 8.2 -8.78 1 5 0 55 396.462 5
Lo Low (pH 4.5-6) 3.15 10.3 -44.93 2 5 1 56 397.47 5

Activity (Go SEA)

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