UCSF

ZINC34891879

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 4.15 6.39 -55.71 1 10 -1 121 479.542 8
Mid Mid (pH 6-8) 4.15 6.83 -49.19 2 10 0 122 480.55 8
Lo Low (pH 4.5-6) 4.15 6.96 -17.99 2 10 0 119 480.55 8

Activity (Go SEA)

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