UCSF

ZINC34937021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 2.32 5.01 -12.32 1 3 0 38 182.267 3
Mid Mid (pH 6-8) 2.77 3.21 -5.77 1 3 0 38 182.267 3

Activity (Go SEA)

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