UCSF

ZINC06753160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 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) 5.37 12.97 -12.4 0 5 0 46 402.494 8
Lo Low (pH 4.5-6) 5.37 13.64 -31.17 1 5 1 47 403.502 8

Activity (Go SEA)

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