UCSF

ZINC34699023

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 34 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) 6.37 17.07 -61.59 1 3 1 25 459.629 8
Mid Mid (pH 6-8) 6.37 14.75 -12.33 0 3 0 24 458.621 8

Activity (Go SEA)

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