UCSF

ZINC19889955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 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) 5.19 12.56 -42.85 1 4 1 26 403.546 8
Mid Mid (pH 6-8) 5.19 12.5 -41.37 1 4 1 26 403.546 8
Mid Mid (pH 6-8) 5.19 10.18 -7.19 0 4 0 25 402.538 8

Activity (Go SEA)

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