UCSF

ZINC35450636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 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) 1.11 10.21 -22.47 1 8 0 99 447.52 7
Lo Low (pH 4.5-6) 1.11 10.67 -45.54 2 8 1 100 448.528 7

Activity (Go SEA)

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