UCSF

ZINC12553466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) 4.03 11.14 -11.31 1 5 0 58 399.494 7
Lo Low (pH 4.5-6) 4.03 11.42 -40.59 2 5 1 59 400.502 7

Activity (Go SEA)

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