UCSF

ZINC37858766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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 1.63 -42.29 0 5 -1 75 243.242 1
Mid Mid (pH 6-8) 0.81 4.28 -7.1 1 5 0 72 244.25 1

Activity (Go SEA)

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