UCSF

ZINC19555380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 24 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) 3.10 8.11 -33.96 1 4 1 26 327.448 6
Mid Mid (pH 6-8) 3.10 5.82 -5.84 0 4 0 25 326.44 6
Mid Mid (pH 6-8) 3.10 8.08 -38.5 1 4 1 26 327.448 6

Activity (Go SEA)

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