UCSF

ZINC09270855

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 26 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) 2.65 7.26 -60.83 0 6 -1 83 419.251 6
Mid Mid (pH 6-8) 2.65 8.08 -12.25 1 6 0 80 420.259 6
Mid Mid (pH 6-8) 2.07 0.08 -13.44 0 6 0 76 420.259 6

Activity (Go SEA)

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