UCSF

ZINC37988402

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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 5.49 -5.26 1 2 0 25 287.215 4
Mid Mid (pH 6-8) 3.04 6.85 -33.83 2 2 1 29 288.223 4

Activity (Go SEA)

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