UCSF

ZINC44626727

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 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) 2.26 5.36 -35.58 2 3 1 43 174.264 7
Mid Mid (pH 6-8) 2.26 4.25 -3.21 1 3 0 38 173.256 7

Activity (Go SEA)

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