UCSF

ZINC60141948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 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) -1.98 -2.55 -47.72 5 7 1 112 218.233 6
Mid Mid (pH 6-8) -1.98 -2.94 -10.13 4 7 0 111 217.225 6

Activity (Go SEA)

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