UCSF

ZINC05332283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 20 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) 3.89 7.82 -7.86 0 5 0 68 266.256 3
Lo Low (pH 4.5-6) 3.89 8.46 -33.75 1 5 1 69 267.264 3

Activity (Go SEA)

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