UCSF

ZINC09712868

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 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) 4.09 -0.48 -15.53 1 8 0 86 450.52 8
Mid Mid (pH 6-8) 4.09 -0.24 -37.98 2 8 1 88 451.528 8

Activity (Go SEA)

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