UCSF

ZINC07589569

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 24 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) 4.22 9.82 -11.29 1 4 0 36 323.44 5
Mid Mid (pH 6-8) 4.22 10.45 -37.18 2 4 1 37 324.448 5
Lo Low (pH 4.5-6) 4.22 10.76 -108.99 3 4 0 38 325.456 5

Activity (Go SEA)

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