UCSF

ZINC00399044

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 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) 1.62 3.34 -9.46 1 3 0 46 209.632 1
Mid Mid (pH 6-8) 1.80 0.8 -40.37 0 3 -1 52 208.624 1
Mid Mid (pH 6-8) 1.80 0.8 -40.4 0 3 -1 52 208.624 1

Activity (Go SEA)

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