UCSF

ZINC66172054

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 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) 2.18 5.36 -35.46 2 4 1 38 281.42 11
Mid Mid (pH 6-8) 2.18 7.46 -108.72 3 4 2 40 282.428 11
Mid Mid (pH 6-8) 2.18 6.08 -33.42 2 4 1 35 281.42 11

Activity (Go SEA)

Rings

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