UCSF

ZINC06505558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 23 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) 0.45 -5.32 -15.88 6 8 0 148 320.253 1
Hi High (pH 8-9.5) 0.45 -5.01 -52.83 5 8 -1 151 319.245 1
Hi High (pH 8-9.5) 0.45 -4.6 -59.01 5 8 -1 151 319.245 1

Activity (Go SEA)

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