UCSF

ZINC47851399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 21 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) 0.93 5.67 -18.98 1 5 0 62 289.379 6
Lo Low (pH 4.5-6) 0.93 6.13 -45.7 2 5 1 64 290.387 6

Activity (Go SEA)

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