UCSF

ZINC41672042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.61 2.04 -10.69 3 3 0 55 252.364 5
Mid Mid (pH 6-8) 1.61 3.2 -38.55 4 3 1 60 253.372 5

Activity (Go SEA)

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