UCSF

ZINC31903413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 4.39 10.23 -11.09 0 5 0 40 393.531 9
Mid Mid (pH 6-8) 4.39 10.63 -32.77 1 5 1 41 394.539 9

Activity (Go SEA)

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