UCSF

ZINC09348242

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 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) 3.14 4.48 -11.11 3 7 0 89 385.395 5
Mid Mid (pH 6-8) 2.77 2.65 -39.47 4 7 1 94 386.403 5

Activity (Go SEA)

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