UCSF

ZINC06919902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 22 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) 2.99 6.9 -10.17 1 4 0 55 291.354 4
Lo Low (pH 4.5-6) 2.99 7.12 -43.18 2 4 1 56 292.362 4

Activity (Go SEA)

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