UCSF

ZINC14229777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 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) 6.29 8.48 -13.78 1 4 0 62 360.504 3
Mid Mid (pH 6-8) 5.37 8.2 -50.36 0 4 -1 61 359.496 4

Activity (Go SEA)

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