UCSF

ZINC12544657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 3.39 6.49 -17.36 2 6 0 80 383.26 3
Mid Mid (pH 6-8) 3.39 6.79 -39.43 3 6 1 81 384.268 3

Activity (Go SEA)

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