UCSF

ZINC35342165

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) 3.28 6.17 -11.11 2 3 0 48 250.301 3
Mid Mid (pH 6-8) 3.28 6.66 -29.05 3 3 1 49 251.309 3

Activity (Go SEA)

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