UCSF

ZINC34827966

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 No

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) 5.71 10.43 -56.84 0 7 -1 93 483.544 8
Mid Mid (pH 6-8) 5.25 12.89 -14.14 1 7 0 90 484.552 8

Activity (Go SEA)

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