UCSF

ZINC42818389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 No

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) 1.17 5.54 -45.79 2 5 1 63 281.376 4
Hi High (pH 8-9.5) 1.17 4.22 -6.33 1 5 0 59 280.368 4

Activity (Go SEA)

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