UCSF

ZINC19367272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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) 0.65 2.84 -47.73 3 6 1 66 384.298 6
Mid Mid (pH 6-8) 0.65 2.83 -47.02 3 6 1 66 384.298 6
Mid Mid (pH 6-8) 0.65 0.45 -8.42 2 6 0 65 383.29 6

Activity (Go SEA)

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