UCSF

ZINC34939934

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 1.34 2.62 -12.74 2 5 0 67 230.308 9
Mid Mid (pH 6-8) 1.34 3.85 -44.42 3 5 1 72 231.316 9

Activity (Go SEA)

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