UCSF

ZINC01296851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 24 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) 1.45 7.77 -61.04 1 6 -1 87 340.384 2
Hi High (pH 8-9.5) 1.52 6.57 -147.42 0 6 -2 93 339.376 2

Activity (Go SEA)

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