UCSF

ZINC32860080

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 31 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) 3.02 12.69 -16.44 1 6 0 69 432.911 7
Mid Mid (pH 6-8) 3.02 13.17 -45.3 2 6 1 70 433.919 7

Activity (Go SEA)

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