UCSF

ZINC43983146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.18 7.05 -36.69 2 2 1 20 265.343 7
Lo Low (pH 4.5-6) 3.18 8.88 -107.78 3 2 2 21 266.351 7

Activity (Go SEA)

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