UCSF

ZINC09329990

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 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) 5.22 12.15 -55.05 0 5 -1 74 434.899 6
Mid Mid (pH 6-8) 5.67 12.11 -17.51 1 5 0 71 435.907 5

Activity (Go SEA)

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