UCSF

ZINC33696384

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 36 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) 4.75 11.47 -15.53 1 7 0 80 507.587 8
Lo Low (pH 4.5-6) 1.09 11.8 -36.6 2 7 1 80 508.595 9

Activity (Go SEA)

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