UCSF

ZINC38539623

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 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) 1.15 3.33 -44.84 3 2 1 31 209.288 2
Mid Mid (pH 6-8) 1.15 5.55 -119.31 4 2 2 32 210.296 2

Activity (Go SEA)

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