UCSF

ZINC21941966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 31 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) 0.73 6.21 -20.82 0 8 0 67 427.549 4
Mid Mid (pH 6-8) 0.73 8.47 -50.2 1 8 1 69 428.557 4

Activity (Go SEA)

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