UCSF

ZINC42324429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 1.69 3.89 -6.83 1 3 0 47 218.3 5
Mid Mid (pH 6-8) 1.69 6 -49.21 2 3 1 48 219.308 5

Activity (Go SEA)

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