UCSF

ZINC38235250

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 16 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) 1.51 4.6 -45.93 1 5 -1 78 221.236 4
Mid Mid (pH 6-8) 1.51 4.62 -54.8 1 5 -1 78 221.236 4

Activity (Go SEA)

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