UCSF

ZINC42829009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.25 2.12 -15.45 2 5 0 72 262.338 3
Lo Low (pH 4.5-6) 0.25 2.54 -38.18 3 5 1 73 263.346 3

Activity (Go SEA)

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