UCSF

ZINC29059426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 33 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) 5.25 13.84 -141.36 0 6 -2 107 438.435 5
Mid Mid (pH 6-8) 5.25 12.36 -64.32 1 6 -1 104 439.443 5
Mid Mid (pH 6-8) 5.25 12.02 -17.67 2 6 0 101 440.451 5

Activity (Go SEA)

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