UCSF

ZINC08926700

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 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) 2.94 7.53 -57.97 0 8 -1 97 474.917 10
Mid Mid (pH 6-8) 3.39 6.49 -30.53 1 8 0 95 475.925 9
Mid Mid (pH 6-8) 2.36 7.47 -27.29 0 8 0 91 475.925 10

Activity (Go SEA)

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