UCSF

ZINC22807585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 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) 3.35 8.37 -54.08 1 6 1 56 427.908 4
Mid Mid (pH 6-8) 3.35 5.53 -9.05 0 6 0 55 426.9 4
Lo Low (pH 4.5-6) 3.35 7.8 -50.56 1 6 1 56 427.908 4

Activity (Go SEA)

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