UCSF

ZINC44260938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 2.06 3.25 -56.79 2 5 0 78 309.366 5
Lo Low (pH 4.5-6) 2.06 3.22 -46.62 3 5 1 76 310.374 5

Activity (Go SEA)

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