UCSF

ZINC31167280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 37 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) 4.90 6.57 -25.76 6 8 0 148 500.503 5
Hi High (pH 8-9.5) 4.90 7.16 -52.24 5 8 -1 151 499.495 5
Hi High (pH 8-9.5) 4.90 7.63 -117.32 4 8 -2 153 498.487 5

Activity (Go SEA)

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