UCSF

ZINC40214827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2010 15 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) -0.48 1.26 -45.74 3 4 1 59 211.285 8
Hi High (pH 8-9.5) -0.48 -0.15 -8.12 2 4 0 54 210.277 8

Activity (Go SEA)

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