UCSF

ZINC28472965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 28 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) 4.14 11.23 -45.9 2 5 1 50 378.496 5
Mid Mid (pH 6-8) 4.14 7.66 -9.69 1 5 0 49 377.488 5

Activity (Go SEA)

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