UCSF

ZINC19833801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 1.50 4.46 -15.58 1 4 0 64 238.674 3
Mid Mid (pH 6-8) 1.50 5.41 -49.92 0 4 -1 67 237.666 3

Activity (Go SEA)

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