UCSF

ZINC28089421

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 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) 4.37 11.16 -49.31 2 4 1 37 392.567 5
Mid Mid (pH 6-8) 4.37 10.39 -42.54 2 4 1 37 392.567 5
Mid Mid (pH 6-8) 4.37 8.79 -10.29 1 4 0 36 391.559 5

Activity (Go SEA)

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