UCSF

ZINC42766519

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.44 4.87 -6.05 3 5 0 75 250.346 4
Mid Mid (pH 6-8) 1.44 5.32 -33.18 4 5 1 76 251.354 4

Activity (Go SEA)

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