UCSF

ZINC46084738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 26 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) 5.47 9.83 -12.07 1 5 0 64 372.852 7
Hi High (pH 8-9.5) 5.47 10.97 -60.2 0 5 -1 67 371.844 7

Activity (Go SEA)

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