UCSF

ZINC19901091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.67 9.86 -123.43 3 2 2 21 294.508 6
Mid Mid (pH 6-8) 2.67 8.69 -36.58 2 2 1 16 293.5 6

Activity (Go SEA)

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