UCSF

ZINC28341098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 26 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) 3.13 7.78 -12.23 0 6 0 60 348.406 4
Lo Low (pH 4.5-6) 3.13 8.22 -49.27 1 6 1 62 349.414 4

Activity (Go SEA)

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