UCSF

ZINC32269264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 25 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) 1.18 4.49 -11.39 1 7 0 72 345.447 5
Mid Mid (pH 6-8) 1.18 6.48 -49.04 2 7 1 73 346.455 5

Activity (Go SEA)

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