UCSF

ZINC12624237

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 30 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) 4.83 9.76 -10.16 0 6 0 60 465.768 3
Lo Low (pH 4.5-6) 4.83 10.24 -43.28 1 6 1 62 466.776 3

Activity (Go SEA)

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