UCSF

ZINC34680949

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.10 10.74 -18.65 1 8 0 84 513.381 4
Mid Mid (pH 6-8) 4.10 11.05 -52.64 2 8 1 85 514.389 4

Activity (Go SEA)

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