UCSF

ZINC41681653

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) 1.43 4.66 -91.67 4 3 2 35 243.439 7
Mid Mid (pH 6-8) 1.43 5.29 -83.22 4 3 2 35 243.439 7
Mid Mid (pH 6-8) 1.43 7.13 -174.92 5 3 3 37 244.447 7

Activity (Go SEA)

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