UCSF

ZINC32056827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) -1.85 -0.55 -98.43 1 7 -2 118 269.282 6
Lo Low (pH 4.5-6) -2.31 0.22 -54.48 2 7 -1 115 270.29 6

Activity (Go SEA)

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