UCSF

ZINC12432025

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 32 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) 3.66 0.49 -15.19 1 6 0 67 427.504 5
Lo Low (pH 4.5-6) 3.66 0.6 -38.62 2 6 1 69 428.512 5

Activity (Go SEA)

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