UCSF

ZINC06184444

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 12 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) 0.85 1.81 -13.97 1 4 0 62 186.236 1
Mid Mid (pH 6-8) 0.67 1.36 -44.35 0 4 -1 61 185.228 2

Activity (Go SEA)

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