UCSF

ZINC31903366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 31 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) 3.91 12.78 -20.24 0 6 0 58 418.541 6
Mid Mid (pH 6-8) 3.91 13.25 -32.01 1 6 1 60 419.549 6

Activity (Go SEA)

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