UCSF

ZINC42369813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 21 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) 3.04 8.68 -72.98 1 5 0 63 295.379 10
Mid Mid (pH 6-8) 3.04 7.31 -49.78 0 5 -1 62 294.371 10

Activity (Go SEA)

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