UCSF

ZINC44010265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.99 10.06 -8.74 0 3 0 24 276.424 8
Lo Low (pH 4.5-6) 3.99 10.84 -23.11 1 3 0 25 277.432 8

Activity (Go SEA)

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