UCSF

ZINC34941449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 3.90 9.4 -62.59 0 9 -1 108 521.59 12
Mid Mid (pH 6-8) 3.90 11.67 -80.7 1 9 0 110 522.598 12
Lo Low (pH 4.5-6) 3.90 10.91 -64.78 2 9 1 107 523.606 12

Activity (Go SEA)

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