UCSF

ZINC34939306

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 1.86 6.41 -14.21 1 6 0 84 233.227 3
Mid Mid (pH 6-8) 2.32 4.49 -7.78 1 6 0 84 233.227 3

Activity (Go SEA)

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