UCSF

ZINC21640226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 21 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) 3.31 12.03 -40.17 1 4 1 33 289.447 3
Hi High (pH 8-9.5) 3.31 10.06 -5.2 0 4 0 32 288.439 3

Activity (Go SEA)

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