UCSF

ZINC16998939

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) 0.50 4.23 -13.09 1 5 0 72 218.212 3
Mid Mid (pH 6-8) 1.41 3.17 -40.64 0 5 -1 75 217.204 3

Activity (Go SEA)

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