UCSF

ZINC42580560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 0.65 3.37 -49.76 3 4 1 49 237.371 6
Hi High (pH 8-9.5) 0.65 4.96 -30.15 3 4 1 48 237.371 6
Lo Low (pH 4.5-6) 0.65 5.19 -121.47 4 4 2 50 238.379 6

Activity (Go SEA)

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