UCSF

ZINC34939311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 2.37 6.51 -15.56 1 6 0 84 273.17 3
Mid Mid (pH 6-8) 2.82 4.53 -13.11 1 6 0 84 273.17 3

Activity (Go SEA)

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