UCSF

ZINC44244438

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 1.19 2.06 -8.52 0 5 0 54 344.234 3
Lo Low (pH 4.5-6) 1.19 4.31 -46.21 1 5 1 55 345.242 3

Activity (Go SEA)

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