UCSF

ZINC28580286

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 25 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) 1.96 1 -52.99 2 7 -1 121 396.857 4
Lo Low (pH 4.5-6) 1.96 1.27 -38.66 3 7 0 123 397.865 4

Activity (Go SEA)

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