UCSF

ZINC33849788

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 18 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) -0.12 0.81 -9.1 2 6 0 92 246.222 1
Hi High (pH 8-9.5) 0.34 -1.06 -90.77 0 6 -2 98 244.206 1
Mid Mid (pH 6-8) 0.34 -1.83 -42.84 1 6 -1 95 245.214 1

Activity (Go SEA)

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