UCSF

ZINC20614323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 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) 3.35 7.67 -48.15 2 6 1 55 396.511 5
Mid Mid (pH 6-8) 3.35 5.3 -11.32 1 6 0 54 395.503 5

Activity (Go SEA)

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