UCSF

ZINC09379931

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 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) 3.88 9.4 -38.66 0 6 -1 79 473.343 8
Mid Mid (pH 6-8) 4.32 8.54 -17.91 1 6 0 76 474.351 7

Activity (Go SEA)

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