UCSF

ZINC38143793

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 35 No

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) 4.93 7.52 -54.64 3 5 -1 101 487.701 1
Lo Low (pH 4.5-6) 4.93 5.67 -6.57 4 5 0 98 488.709 1

Activity (Go SEA)

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