UCSF

ZINC32009925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 2.82 5.95 -45.37 3 2 1 32 201.293 1
Mid Mid (pH 6-8) 2.82 4.5 -6 2 2 0 28 200.285 1

Activity (Go SEA)

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