UCSF

ZINC34527407

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 No

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) 4.47 13.48 -13.5 0 5 0 72 393.446 5
Lo Low (pH 4.5-6) 4.47 14.4 -85.68 2 5 2 74 395.462 5
Lo Low (pH 4.5-6) 4.47 13.94 -43.19 1 5 1 73 394.454 5

Activity (Go SEA)

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