UCSF

ZINC36204385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 2.02 1.41 -54.69 3 5 1 68 261.301 5
Mid Mid (pH 6-8) 2.02 1.01 -7.52 2 5 0 67 260.293 5

Activity (Go SEA)

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