UCSF

ZINC05622197

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 23 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) 3.10 6.01 -11.71 2 5 0 71 394.294 6
Lo Low (pH 4.5-6) 3.10 6.29 -40.13 3 5 1 72 395.302 6

Activity (Go SEA)

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