UCSF

ZINC37841501

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

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) 1.36 7.34 -42.75 2 4 1 41 270.356 1
Mid Mid (pH 6-8) 1.36 5.21 -11.93 1 4 0 39 269.348 1

Activity (Go SEA)

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