UCSF

ZINC05725084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 30 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) 3.69 11.21 -100.54 2 8 -2 138 426.554 21
Lo Low (pH 4.5-6) 3.69 9.24 -59.02 3 8 -1 136 427.562 21

Activity (Go SEA)

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