UCSF

ZINC33672131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 25 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) 5.60 7.36 -10.04 2 5 0 75 466.3 4
Hi High (pH 8-9.5) 6.05 6.53 -95.65 0 5 -2 81 464.284 4
Hi High (pH 8-9.5) 6.05 5.61 -45.7 1 5 -1 78 465.292 4
Hi High (pH 8-9.5) 5.60 8.28 -40.81 1 5 -1 78 465.292 4

Activity (Go SEA)

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