UCSF

ZINC12463598

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 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 7.7 -10.63 2 5 0 75 466.3 4
Hi High (pH 8-9.5) 6.05 7.11 -102.12 0 5 -2 81 464.284 4
Hi High (pH 8-9.5) 6.05 6.19 -42.13 1 5 -1 78 465.292 4
Hi High (pH 8-9.5) 5.60 8.61 -46.81 1 5 -1 78 465.292 4
Hi High (pH 8-9.5) 6.05 6.43 -103.95 0 5 -2 81 464.284 4
Hi High (pH 8-9.5) 5.60 8.2 -46.85 1 5 -1 78 465.292 4
Hi High (pH 8-9.5) 6.05 5.5 -43.74 1 5 -1 78 465.292 4

Activity (Go SEA)

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