UCSF

ZINC23724325

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 22 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) 4.67 5.41 -44.66 1 4 -1 64 374.239 3
Hi High (pH 8-9.5) 4.67 6.19 -90.57 0 4 -2 67 373.231 3

Activity (Go SEA)

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