UCSF

ZINC60027314

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 3.41 5.99 -49.21 3 5 1 57 468.445 7
Lo Low (pH 4.5-6) 3.41 8.34 -101.65 4 5 2 59 469.453 7

Activity (Go SEA)

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