UCSF

ZINC41681107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.91 5.39 -12.5 2 4 0 51 265.382 2
Mid Mid (pH 6-8) 1.91 5.72 -44.36 3 4 1 53 266.39 2

Activity (Go SEA)

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