UCSF

ZINC36677625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 1.27 6.34 -41.48 3 2 1 30 241.405 3
Mid Mid (pH 6-8) 1.27 4.45 -8.04 2 2 0 29 240.397 3

Activity (Go SEA)

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