UCSF

ZINC36198544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.42 11.02 -62.04 0 4 -1 60 294.415 7
Lo Low (pH 4.5-6) 3.42 8.95 -12.05 1 4 0 58 295.423 7

Activity (Go SEA)

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