UCSF

ZINC02084997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 31 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) 3.44 -7.08 -20.31 2 10 0 147 463.493 8
Hi High (pH 8-9.5) 3.44 -6.5 -49.66 1 10 -1 149 462.485 8
Hi High (pH 8-9.5) 3.44 -6.58 -52.3 1 10 -1 149 462.485 8
Hi High (pH 8-9.5) 3.44 -6 -103.23 0 10 -2 151 461.477 8

Activity (Go SEA)

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