UCSF

ZINC39042752

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 15 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) -1.17 -6.86 -148.72 3 8 -2 142 242.12 4
Mid Mid (pH 6-8) -1.17 -8.01 -54.52 4 8 -1 140 243.128 4

Activity (Go SEA)

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