UCSF

ZINC36377939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 38 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) 1.45 5.69 -15.21 2 10 0 124 531.602 10
Mid Mid (pH 6-8) 1.45 8.02 -44.8 3 10 1 125 532.61 10

Activity (Go SEA)

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