UCSF

ZINC07422786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 17 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) 1.65 -1.71 -13.43 1 5 0 72 256.258 3
Hi High (pH 8-9.5) 1.65 -1.14 -50.39 0 5 -1 74 255.25 3

Activity (Go SEA)

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