UCSF

ZINC26174574

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 21 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) 3.66 11.82 -14.21 0 3 0 41 275.355 4
Mid Mid (pH 6-8) 3.66 12.23 -37.55 1 3 1 42 276.363 4

Activity (Go SEA)

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