UCSF

ZINC37140844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.00 10.19 -30.73 2 2 1 16 273.444 6
Mid Mid (pH 6-8) 3.00 8.85 -36.85 2 2 1 20 273.444 6

Activity (Go SEA)

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