UCSF

ZINC04157541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 6.15 2.15 -13.22 1 4 0 38 365.521 6
Mid Mid (pH 6-8) 6.15 2.46 -22.32 2 4 1 39 366.529 6

Activity (Go SEA)

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