UCSF

ZINC34603216

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 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) 6.13 12.26 -48.83 1 5 0 61 469.397 4
Hi High (pH 8-9.5) 6.13 11.82 -42.47 0 5 -1 60 468.389 4

Activity (Go SEA)

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