UCSF

ZINC32013405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 1.60 5.01 -6.9 0 3 0 30 219.284 4
Mid Mid (pH 6-8) 1.60 7.32 -44.75 1 3 1 31 220.292 4

Activity (Go SEA)

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