UCSF

ZINC42694522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 21 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) 1.04 5.5 -22.14 1 7 0 92 309.347 5
Hi High (pH 8-9.5) 1.49 3.55 -50.81 0 7 -1 95 308.339 5

Activity (Go SEA)

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