UCSF

ZINC34475205

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 26 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) 4.98 9.51 -52.26 2 4 -1 81 359.417 8
Lo Low (pH 4.5-6) 4.98 7.54 -11.78 3 4 0 78 360.425 8

Activity (Go SEA)

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