UCSF

ZINC42913433

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 Yes

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) 1.46 6.1 -99.26 4 3 2 35 267.392 3
Hi High (pH 8-9.5) 1.46 5.41 -119.8 4 3 2 35 267.392 3
Hi High (pH 8-9.5) 1.46 4.16 -45.39 3 3 1 34 266.384 3

Activity (Go SEA)

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