UCSF

ZINC34944452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 4.57 10.76 -62.35 0 7 -1 82 491.608 10
Mid Mid (pH 6-8) 4.57 13.03 -75.75 1 7 0 83 492.616 10
Lo Low (pH 4.5-6) 4.57 12.14 -52.87 2 7 1 81 493.624 10

Activity (Go SEA)

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