UCSF

ZINC38655010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 2.15 9.75 -18.71 0 7 0 79 426.542 4
Lo Low (pH 4.5-6) 2.15 10.16 -51.04 1 7 1 80 427.55 4

Activity (Go SEA)

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