UCSF

ZINC47920700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 12 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) 0.91 3.23 -38.08 2 2 1 20 169.292 3
Lo Low (pH 4.5-6) 0.91 5.18 -95 3 2 2 21 170.3 3

Activity (Go SEA)

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