UCSF

ZINC08780270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 25 Yes

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) 0.69 3.88 -16.68 3 8 0 125 363.395 8
Lo Low (pH 4.5-6) 0.69 4.16 -49.29 4 8 1 126 364.403 8

Activity (Go SEA)

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