UCSF

ZINC42944032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.47 2.53 -52.58 7 5 1 105 280.352 4
Hi High (pH 8-9.5) 1.47 2.17 -8.62 6 5 0 104 279.344 4

Activity (Go SEA)

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