UCSF

ZINC05280478

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 20 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) 4.24 9.52 -11.14 1 5 0 71 265.272 3
Lo Low (pH 4.5-6) 4.24 9.15 -36.81 2 5 1 72 266.28 3

Activity (Go SEA)

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