UCSF

ZINC39442980

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 29 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) 2.27 3.47 -36.08 3 6 1 61 406.591 8
Mid Mid (pH 6-8) 2.27 3.29 -36.05 3 6 1 61 406.591 8
Lo Low (pH 4.5-6) 2.27 5.77 -86.7 4 6 2 62 407.599 8
Lo Low (pH 4.5-6) 2.27 5.51 -100.59 4 6 2 62 407.599 8

Activity (Go SEA)

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