UCSF

ZINC42449480

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.05 0.4 -41.26 3 4 1 53 213.301 6
Mid Mid (pH 6-8) 0.05 3.33 -43.44 3 4 1 57 213.301 6

Activity (Go SEA)

Rings

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