UCSF

ZINC04936438

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 28 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) 1.08 7.19 -52.25 1 7 -1 107 405.427 7
Lo Low (pH 4.5-6) 1.08 5.21 -17.44 2 7 0 104 406.435 7

Activity (Go SEA)

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