UCSF

ZINC45694674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.40 5.17 -55.15 1 5 -1 78 258.338 8
Lo Low (pH 4.5-6) 1.40 3.36 -10.92 2 5 0 76 259.346 8

Activity (Go SEA)

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