UCSF

ZINC19434578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 0.10 3.99 -11.38 0 5 0 56 217.276 3
Mid Mid (pH 6-8) 0.10 6.36 -53.47 1 5 1 57 218.284 3

Activity (Go SEA)

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