UCSF

ZINC34791663

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 32 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) 3.81 8.8 -16.86 1 7 0 82 454.596 4
Mid Mid (pH 6-8) 3.81 11.01 -60.37 2 7 1 84 455.604 4

Activity (Go SEA)

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