UCSF

ZINC36323448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 Yes

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) 0.55 4.32 -57.73 4 5 1 83 251.285 5
Mid Mid (pH 6-8) 0.55 2.02 -15.01 3 5 0 82 250.277 5

Activity (Go SEA)

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