UCSF

ZINC49544543

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 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) 1.87 5.98 -18.72 2 5 0 79 310.353 3
Hi High (pH 8-9.5) 2.33 5.3 -54.72 1 5 -1 82 309.345 3

Activity (Go SEA)

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