UCSF

ZINC41907429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 20 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) 0.56 4.65 -46.13 1 5 1 41 297.81 4
Hi High (pH 8-9.5) 0.56 2.17 -9.23 0 5 0 40 296.802 4

Activity (Go SEA)

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