UCSF

ZINC48460676

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 21 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) 2.20 1.69 -7.1 2 5 0 67 335.832 4
Mid Mid (pH 6-8) 2.20 3.9 -42.76 3 5 1 68 336.84 4

Activity (Go SEA)

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