UCSF

ZINC25445366

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.11 7.6 -55.66 1 7 -1 103 467.955 7
Mid Mid (pH 6-8) 4.11 7.53 -26.7 2 7 0 101 468.963 7
Mid Mid (pH 6-8) 4.18 6.69 -98.17 0 7 -2 109 466.947 7

Activity (Go SEA)

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