UCSF

ZINC34603139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 4.04 11.33 -43.75 4 7 1 79 453.655 11
Mid Mid (pH 6-8) 4.04 12.67 -120.12 5 7 2 83 454.663 11

Activity (Go SEA)

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