UCSF

ZINC05590476

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 22 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) 4.46 5.39 -43.34 1 4 -1 64 374.239 3
Lo Low (pH 4.5-6) 4.46 5.86 -15.81 2 4 0 62 375.247 3

Activity (Go SEA)

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