UCSF

ZINC16975006

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 13 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) 1.05 2.53 -6.7 0 4 0 62 180.207 4
Mid Mid (pH 6-8) 1.05 3.5 -31.97 1 4 1 64 181.215 4

Activity (Go SEA)

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