UCSF

ZINC57554338

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 22 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) 2.07 8.7 -45.58 2 4 1 47 299.394 4
Hi High (pH 8-9.5) 2.07 6.23 -7.88 1 4 0 45 298.386 4

Activity (Go SEA)

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