UCSF

ZINC37834480

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.26 4.53 -12.34 0 5 0 50 321.215 5
Lo Low (pH 4.5-6) 1.26 6.67 -52.65 1 5 1 51 322.223 5

Activity (Go SEA)

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