UCSF

ZINC44810115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 3.74 6.07 -13.43 1 5 0 75 289.36 4
Hi High (pH 8-9.5) 3.92 4.47 -42.94 0 5 -1 81 288.352 4

Activity (Go SEA)

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