UCSF

ZINC19273738

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 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) 3.07 7.33 -136.8 4 2 2 32 305.235 6
Mid Mid (pH 6-8) 3.07 5.16 -53.39 3 2 1 31 304.227 6

Activity (Go SEA)

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