UCSF

ZINC41511817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 17 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) 1.90 7.8 -38.64 1 6 1 66 302.152 2
Mid Mid (pH 6-8) 1.90 5.45 -4.52 0 6 0 65 301.144 2

Activity (Go SEA)

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