UCSF

ZINC19365889

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 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) 1.22 4.05 -34.16 1 2 1 8 177.699 3
Mid Mid (pH 6-8) 1.22 4.04 -36.06 1 2 1 8 177.699 3
Mid Mid (pH 6-8) 1.22 1.66 -1.78 0 2 0 6 176.691 3

Activity (Go SEA)

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