UCSF

ZINC41055920

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) -1.06 -0.54 -33.19 4 5 1 69 218.321 8
Mid Mid (pH 6-8) -1.06 -2.2 -40.8 4 5 1 69 218.321 8
Mid Mid (pH 6-8) -1.06 -0.15 -112.82 5 5 2 70 219.329 8

Activity (Go SEA)

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