UCSF

ZINC39294473

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 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) 3.00 5.58 -10.69 0 4 0 41 348.493 4
Mid Mid (pH 6-8) 3.00 7.8 -43.87 1 4 1 42 349.501 4

Activity (Go SEA)

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