UCSF

ZINC19229166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 32 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) 3.10 5.15 -12.17 0 7 0 62 480.03 8
Mid Mid (pH 6-8) 3.10 7.47 -50.7 1 7 1 64 481.038 8

Activity (Go SEA)

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