UCSF

ZINC40420973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 29 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) 7.05 13.31 -13.51 1 5 0 73 406.563 14
Hi High (pH 8-9.5) 7.05 14.04 -38.66 0 5 -1 76 405.555 14

Activity (Go SEA)

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