UCSF

ZINC52425673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 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) 1.39 6.23 -99.53 3 2 2 21 204.383 5
Mid Mid (pH 6-8) 1.39 4.52 -38.64 2 2 1 20 203.375 5

Activity (Go SEA)

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