UCSF

ZINC34550256

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 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) 6.42 14.7 -15.71 1 4 0 59 494.557 5
Lo Low (pH 4.5-6) 6.42 15.16 -37.32 2 4 1 60 495.565 5

Activity (Go SEA)

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