UCSF

ZINC34675700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 22 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) 2.05 7.11 -41.27 2 5 1 54 324.832 5
Hi High (pH 8-9.5) 2.24 5.09 -39.91 1 5 0 60 323.824 5

Activity (Go SEA)

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