UCSF

ZINC48785439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 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) 1.26 5.93 -41.17 2 4 1 56 330.177 4
Hi High (pH 8-9.5) 1.26 4.74 -5.28 1 4 0 51 329.169 4

Activity (Go SEA)

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