UCSF

ZINC37997646

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.88 8.48 -34.15 2 2 1 16 287.88 6
Mid Mid (pH 6-8) 3.88 9.66 -108.72 3 2 2 21 288.888 6

Activity (Go SEA)

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