UCSF

ZINC38140505

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 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) 4.87 8.04 -14.14 3 5 0 77 389.48 4
Lo Low (pH 4.5-6) 4.87 8.36 -35.15 4 5 1 78 390.488 4

Activity (Go SEA)

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