UCSF

ZINC46874074

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 20 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) 1.02 5.26 -14.47 0 8 0 91 280.284 5
Lo Low (pH 4.5-6) 1.02 7.4 -61.05 1 8 1 93 281.292 5

Activity (Go SEA)

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