UCSF

ZINC34112215

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 30 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) 5.04 8.44 -15.83 3 6 0 91 417.852 4
Hi High (pH 8-9.5) 5.11 6.83 -64.7 2 6 -1 97 416.844 4
Hi High (pH 8-9.5) 5.11 6.92 -57.3 2 6 -1 97 416.844 4

Activity (Go SEA)

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