UCSF

ZINC32117957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 No

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) 2.50 5.15 -7.45 0 5 0 52 269.732 4
Mid Mid (pH 6-8) 2.50 7.53 -54.07 1 5 1 53 270.74 4

Activity (Go SEA)

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