UCSF

ZINC20177430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 10 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) 0.47 1.03 -7.81 1 3 0 45 142.202 5
Mid Mid (pH 6-8) 0.47 2.3 -48.93 2 3 1 50 143.21 5

Activity (Go SEA)

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