UCSF

ZINC09272908

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 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) 3.91 9.3 -63.37 1 7 -1 99 472.517 9
Mid Mid (pH 6-8) 3.33 -1.52 -21.21 1 7 0 93 473.525 9
Mid Mid (pH 6-8) 4.36 8.59 -18.65 2 7 0 96 473.525 8

Activity (Go SEA)

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