UCSF

ZINC05409247

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 2.03 3.89 -58.26 1 4 -1 69 284.316 3
Mid Mid (pH 6-8) 2.48 -3.18 -15.45 2 4 0 66 285.324 2

Activity (Go SEA)

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