UCSF

ZINC19608585

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 27 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) 3.57 11.35 -41.37 1 4 1 26 365.476 4
Mid Mid (pH 6-8) 3.57 11.2 -41.26 1 4 1 26 365.476 4
Mid Mid (pH 6-8) 3.57 8.89 -8.06 0 4 0 24 364.468 4

Activity (Go SEA)

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