UCSF

ZINC35510650

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 3.29 12.02 -13.86 0 8 0 89 482.492 7
Lo Low (pH 4.5-6) 3.29 12.49 -46.79 1 8 1 90 483.5 7

Activity (Go SEA)

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