UCSF

ZINC09271498

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) 5.18 13.45 -73.29 1 6 0 74 478.633 10
Mid Mid (pH 6-8) 5.63 13.48 -44.84 2 6 1 71 479.641 9

Activity (Go SEA)

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