UCSF

ZINC31996216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 0.98 4.65 -11.29 3 5 0 81 231.255 4
Lo Low (pH 4.5-6) 0.98 5.1 -43.98 4 5 1 82 232.263 4

Activity (Go SEA)

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