UCSF

ZINC40157069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 28 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) 2.83 9.01 -51.85 1 6 1 62 410.604 8
Mid Mid (pH 6-8) 2.83 6.82 -11.46 0 6 0 61 409.596 8

Activity (Go SEA)

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