UCSF

ZINC35457507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 2.77 11.44 -20.5 0 9 0 105 480.565 7
Lo Low (pH 4.5-6) 2.77 11.85 -52.19 1 9 1 106 481.573 7

Activity (Go SEA)

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