UCSF

ZINC05783278

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 13 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) -0.40 0.57 -19.93 3 6 0 98 177.167 0
Hi High (pH 8-9.5) 0.06 -0.55 -46.66 2 6 -1 101 176.159 0

Activity (Go SEA)

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