UCSF

ZINC48009148

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 22 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) 1.84 6.16 -47.43 3 5 1 63 322.454 4
Mid Mid (pH 6-8) 1.84 4.05 -19.32 2 5 0 61 321.446 4

Activity (Go SEA)

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