UCSF

ZINC49224735

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 18 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) 3.98 7.08 -11.62 3 3 0 51 265.426 8
Lo Low (pH 4.5-6) 3.98 7.55 -45.14 4 3 1 52 266.434 8

Activity (Go SEA)

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