UCSF

ZINC16161608

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 28 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) 2.64 4.52 -35.84 2 8 0 112 400.46 6
Ref Reference (pH 7) 2.64 4.62 -26.5 2 8 0 112 400.46 6
Hi High (pH 8-9.5) 3.10 2.87 -59.03 1 8 -1 115 399.452 6
Hi High (pH 8-9.5) 3.10 2.62 -78.52 1 8 -1 115 399.452 6

Activity (Go SEA)

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