UCSF

ZINC16212735

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 35 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) 4.88 11.55 -55.55 0 7 -1 88 480.581 13
Mid Mid (pH 6-8) 5.33 10 -27.27 1 7 0 85 481.589 12
Mid Mid (pH 6-8) 4.30 10.98 -21.19 0 7 0 82 481.589 13

Activity (Go SEA)

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