UCSF

ZINC09012344

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 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) 4.84 11.89 -52.99 0 7 -1 106 478.278 5
Mid Mid (pH 6-8) 4.26 0.55 -13.84 0 7 0 100 479.286 5
Lo Low (pH 4.5-6) 4.84 11.07 -17.32 1 7 0 103 479.286 5

Activity (Go SEA)

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