UCSF

ZINC41680484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.91 6.91 -77.97 3 3 2 24 243.439 5
Mid Mid (pH 6-8) 1.91 8.45 -175.78 4 3 3 25 244.447 5

Activity (Go SEA)

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