UCSF

ZINC41676407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.91 4.69 -36.9 4 5 1 72 265.381 8
Lo Low (pH 4.5-6) 0.91 5.03 -82.05 5 5 2 74 266.389 8

Activity (Go SEA)

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