UCSF

ZINC44518845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 2.17 6.8 -77.88 3 3 2 24 255.45 4
Mid Mid (pH 6-8) 2.17 7.68 -93.29 3 3 2 21 255.45 4

Activity (Go SEA)

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