UCSF

ZINC45696162

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.53 5.02 -42.19 2 4 1 52 218.317 8
Mid Mid (pH 6-8) 1.53 3.69 -5.66 1 4 0 48 217.309 8

Activity (Go SEA)

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