UCSF

ZINC32132944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 10 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) 0.57 1.68 -5.08 1 2 0 33 202.051 2
Lo Low (pH 4.5-6) 0.57 2.12 -36 2 2 1 34 203.059 2

Activity (Go SEA)

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