UCSF

ZINC05192862

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 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) 4.09 6.4 -11.66 3 6 0 97 394.434 3
Lo Low (pH 4.5-6) 4.09 6.42 -56.85 4 6 1 99 395.442 3

Activity (Go SEA)

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