UCSF

ZINC22908460

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 No

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) 0.30 2.34 -12.22 2 8 0 91 386.452 5
Mid Mid (pH 6-8) 0.30 4.61 -49.81 3 8 1 92 387.46 5
Mid Mid (pH 6-8) 0.30 4.63 -49.75 3 8 1 92 387.46 5

Activity (Go SEA)

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