UCSF

ZINC09358948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 34 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) 3.15 7.25 -61.55 1 8 -1 108 468.526 11
Mid Mid (pH 6-8) 3.60 7.18 -15.39 2 8 0 106 469.534 10
Mid Mid (pH 6-8) 2.57 -1.21 -14.37 1 8 0 102 469.534 11

Activity (Go SEA)

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