UCSF

ZINC36371239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 27 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) 4.66 10.43 -49.53 1 3 -1 60 373.557 4
Lo Low (pH 4.5-6) 4.66 8.45 -5.38 2 3 0 58 374.565 4

Activity (Go SEA)

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