UCSF

ZINC17015579

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 26 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) 3.63 10.6 -53.17 0 4 -1 60 350.369 5
Mid Mid (pH 6-8) 4.08 9.19 -11.22 1 4 0 58 351.377 4
Mid Mid (pH 6-8) 3.05 9.8 -11.01 0 4 0 54 351.377 5

Activity (Go SEA)

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