UCSF

ZINC35622701

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 4.48 9.51 -10.8 1 6 0 61 344.374 3
Lo Low (pH 4.5-6) 4.48 9.85 -33.34 2 6 1 62 345.382 3

Activity (Go SEA)

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