UCSF

ZINC06548337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 17 Yes

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) 3.26 4.35 -53.24 2 4 -1 72 234.275 3
Lo Low (pH 4.5-6) 3.26 2.36 -7.83 3 4 0 70 235.283 3

Activity (Go SEA)

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