UCSF

ZINC06871034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 30 Yes

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) 3.72 12.74 -13.09 0 5 0 63 400.409 3
Lo Low (pH 4.5-6) 3.72 13.01 -33.16 1 5 1 65 401.417 3

Activity (Go SEA)

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