UCSF

ZINC42396321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 3.34 10.18 -100.88 2 3 2 18 343.309 5
Hi High (pH 8-9.5) 3.34 8.02 -40.8 1 3 1 17 342.301 5

Activity (Go SEA)

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