UCSF

ZINC19268644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 1.30 2.03 -46.53 3 3 1 40 231.266 5
Mid Mid (pH 6-8) 1.30 4.11 -124.16 4 3 2 41 232.274 5

Activity (Go SEA)

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