UCSF

ZINC34623302

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 36 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) 7.62 18.82 -55.72 0 5 -1 61 480.632 8
Mid Mid (pH 6-8) 7.62 19.08 -61.39 1 5 0 62 481.64 8

Activity (Go SEA)

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