UCSF

ZINC40549421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 24 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) 2.42 9.91 -49.46 1 5 1 52 341.46 5
Hi High (pH 8-9.5) 2.42 7.82 -15.21 0 5 0 51 340.452 5

Activity (Go SEA)

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