UCSF

ZINC34853168

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 3.54 8.25 -11.16 1 7 0 80 427.526 7
Lo Low (pH 4.5-6) -0.13 8.99 -34.24 2 7 1 80 428.534 8

Activity (Go SEA)

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