UCSF

ZINC19834274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 12 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) 1.65 4.42 -101.64 5 3 2 56 173.304 7
Mid Mid (pH 6-8) -1.27 4.41 -28.76 5 3 1 56 172.296 7

Activity (Go SEA)

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