UCSF

ZINC06732265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 20 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) 1.41 -0.87 -62.18 1 5 0 70 269.304 3
Lo Low (pH 4.5-6) 1.41 -0.75 -83.99 2 5 1 71 270.312 3

Activity (Go SEA)

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