UCSF

ZINC01291516

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 4.92 11.74 -8.19 0 2 0 17 327.225 1
Lo Low (pH 4.5-6) 4.92 12.14 -28.73 1 2 1 19 328.233 1

Activity (Go SEA)

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