UCSF

ZINC39174911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2010 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) 3.30 6.22 -13.23 1 5 0 69 300.31 2
Hi High (pH 8-9.5) 3.30 7.32 -60.64 0 5 -1 72 299.302 2

Activity (Go SEA)

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