UCSF

ZINC45230683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 5.04 10.57 -37 2 2 1 16 309.905 8
Mid Mid (pH 6-8) 5.04 9.53 -43.54 2 2 1 20 309.905 8

Activity (Go SEA)

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