UCSF

ZINC37999289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 0.45 2.75 -42.01 4 7 1 95 268.341 5
Mid Mid (pH 6-8) 0.91 1.07 -54.66 3 7 0 98 267.333 5

Activity (Go SEA)

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