UCSF

ZINC41168589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 12 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) -0.60 1.06 -35.73 2 3 1 28 173.28 3
Mid Mid (pH 6-8) -0.60 0.78 -34.35 2 3 1 28 173.28 3
Mid Mid (pH 6-8) -0.60 3.27 -106.83 3 3 2 29 174.288 3

Activity (Go SEA)

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