UCSF

ZINC06504966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 15 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) 0.76 3.71 -15.13 1 6 0 75 205.221 1
Hi High (pH 8-9.5) 1.21 1.69 -53.17 0 6 -1 78 204.213 1

Activity (Go SEA)

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